data_1wrt_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 1wrt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.26 -54.01 9.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.0 OUTLIER -49.13 -74.41 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.945 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' R' ' 18' ' ' GLU . 16.0 t-105 -32.77 -31.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 18' ' ' GLU . 12.4 mt -90.77 -39.22 12.52 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.588 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' R' ' 18' ' ' GLU . 0.1 OUTLIER -69.54 -23.27 63.56 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.301 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' R' ' 22' ' ' PHE . 0.8 OUTLIER -81.19 -64.82 1.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' R' ' 22' ' ' PHE . 35.6 m -49.0 -30.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.521 -1.272 . . . . 0.0 109.115 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -38.42 67.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 118.963 -1.095 . . . . 0.0 108.939 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.77 -34.87 77.65 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.125 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.69 -44.43 66.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.675 -1.21 . . . . 0.0 109.571 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -57.16 -53.89 53.02 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.397 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . 0.485 ' H ' HD21 ' R' ' 28' ' ' ASN . 4.3 m-80 -42.98 -53.08 4.94 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.19 -54.0 48.88 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.498 -1.281 . . . . 0.0 110.057 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.8 m-85 -47.37 -70.14 0.1 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.1 tt0 11.7 -70.09 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.678 2.486 . . . . 0.0 110.341 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.3 t-20 -94.74 -95.97 0.17 Allowed 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -151.58 22.41 0.71 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.7 15.84 1.6 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 114.455 -1.248 . . . . 0.0 114.096 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.558 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 17.4 p-80 -96.26 -17.52 20.69 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.348 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 0.3 OUTLIER -47.49 -48.91 56.96 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.584 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -61.59 -69.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.954 0 CA-C-N 118.58 0.529 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -29.6 36.37 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.262 -1.375 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.65 -34.17 72.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 117.69 -1.604 . . . . 0.0 108.323 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.0 OUTLIER -68.63 -30.28 68.96 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.823 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.13 -4.6 10.57 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.434 -1.306 . . . . 0.0 107.845 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 42' ' ' MET . . . . . 0.476 ' H ' ' C ' ' R' ' 40' ' ' ASN . 0.2 OUTLIER -105.26 16.52 25.55 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.365 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.86 12.31 7.65 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.679 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -45.69 151.89 0.77 Allowed Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.72 -56.37 1.77 Allowed 'Trans proline' 0 C--N 1.322 -0.868 0 C-N-CA 120.84 1.027 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 2.4 p30 -51.31 -44.57 61.97 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 2.3 tp10 -76.07 -34.52 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -54.69 -31.14 57.49 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -22.77 20.98 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -11.91 56.3 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 2.7 tm? -69.39 -72.42 0.19 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.88 -30.49 5.01 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 119.074 -1.536 . . . . 0.0 109.919 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -71.72 -45.92 60.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -48.15 -38.98 19.28 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -21.96 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 19.6 ttm105 -65.04 -46.43 81.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.676 -0.809 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -59.38 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.312 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' R' ' 59' ' ' GLU . 31.0 m -32.7 -50.39 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.786 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' R' ' 58' ' ' VAL . 14.8 tt0 -59.4 -53.84 53.56 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.849 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.44 -17.81 64.83 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 119.771 -0.772 . . . . 0.0 112.458 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 N--CA 1.49 1.566 0 C-N-CA 118.722 -1.191 . . . . 0.0 111.421 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' R' ' 95' ' ' GLU . 6.3 Cg_endo . . . . . 0 C--O 1.212 -0.812 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.75 -13.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' R' ' 93' ' ' PRO . 18.4 mt-10 -75.49 -17.1 60.21 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' R' ' 98' ' ' GLN . 28.0 tp -86.83 -44.7 11.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -47.28 -19.01 0.12 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.31 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' R' ' 96' ' ' LEU . 5.4 mt-30 -62.94 -60.3 3.65 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.894 -0.722 . . . . 0.0 111.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -81.46 -53.07 6.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.467 -1.293 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.64 -53.68 4.34 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.567 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.76 -19.76 2.69 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.25 -13.46 20.79 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.22 -29.59 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.294 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -33.54 22.03 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.638 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.488 1.473 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.38 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.71 -34.83 11.79 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.609 -0.837 . . . . 0.0 112.541 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mm-40 -91.37 -45.01 8.81 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.202 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -42.75 -13.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' S' ' 18' ' ' GLU . 81.6 mt -115.52 -81.22 0.61 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.861 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -39.27 -39.61 0.65 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.807 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' S' ' 25' ' ' LEU . 0.7 OUTLIER -85.25 -54.51 4.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.764 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' S' ' 22' ' ' PHE . 42.4 t -46.86 -23.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 118.541 -1.264 . . . . 0.0 109.686 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.6 OUTLIER -69.82 -41.05 75.52 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 119.386 -0.925 . . . . 0.0 108.834 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' S' ' 22' ' ' PHE . 73.8 mt -59.33 -28.23 66.63 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.363 -0.935 . . . . 0.0 108.989 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.85 -40.95 81.36 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.691 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -68.84 -24.18 64.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.463 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.99 -50.11 57.61 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.861 -1.135 . . . . 0.0 110.138 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.33 90.35 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.764 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.2 m-85 -48.56 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.207 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.549 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.1 OUTLIER -13.72 -66.3 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 125.049 1.468 . . . . 0.0 112.798 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' S' ' 34' ' ' LEU . 45.3 m-80 -77.32 35.24 0.17 Allowed 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.706 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.764 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.6 OUTLIER 31.78 28.36 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.448 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.4 mt -91.82 14.46 15.39 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.398 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' S' ' 36' ' ' LEU . 26.7 p-80 -77.73 -21.4 51.94 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.3 mm? -35.59 -60.67 0.6 Allowed Pre-proline 0 N--CA 1.496 1.862 0 C-N-CA 119.441 -0.903 . . . . 0.0 111.497 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' S' ' 38' ' ' LEU . 1.6 Cg_endo -59.17 -72.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.339 0.693 . . . . 0.0 110.301 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' S' ' 41' ' ' LEU . 0.5 OUTLIER -38.86 -62.46 0.62 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.002 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.3 OUTLIER -43.36 -70.19 0.11 Allowed 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.238 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -50.17 -18.12 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' S' ' 38' ' ' LEU . 18.8 tp -55.34 -69.57 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.07 47.17 1.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.616 -0.833 . . . . 0.0 112.762 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 44' ' ' THR . 1.6 mt -61.13 -71.76 0.13 Allowed 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.537 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 73.07 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.792 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' S' ' 46' ' ' ASP . 3.1 Cg_exo -53.17 -61.0 0.52 Allowed 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 120.848 1.032 . . . . 0.0 112.051 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' S' ' 45' ' ' PRO . 39.8 t0 -38.16 -47.73 1.18 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.256 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.66 -39.97 84.53 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.624 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' S' ' 50' ' ' ALA . 72.1 ttt180 -50.32 -47.83 55.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.518 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.68 13.26 1.04 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' S' ' 48' ' ' ARG . . . -109.09 -42.95 4.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.865 -0.734 . . . . 0.0 111.967 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' S' ' 52' ' ' GLY . 3.1 pp -47.53 -54.12 12.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' S' ' 51' ' ' LEU . . . -59.01 -47.58 90.07 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 118.955 -1.593 . . . . 0.0 109.927 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -64.19 -8.01 11.04 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.708 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' S' ' 56' ' ' ARG . 2.0 tpp180 -90.68 -65.68 0.99 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.218 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.66 -23.3 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.305 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.03 -62.58 1.68 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.714 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.8 OUTLIER -42.69 -53.16 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.773 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 12.2 t -55.98 -68.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.46 -10.13 0.23 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.672 -0.811 . . . . 0.0 111.74 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' S' ' 58' ' ' VAL . 30.7 mt-10 . . . . . 0 N--CA 1.492 1.631 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.067 0.461 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -99.0 -19.88 17.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.791 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 28.8 tp -80.88 -52.26 7.67 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -43.69 -29.32 0.5 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.48 -62.5 1.61 Allowed 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.804 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' S' ' 102' ' ' GLU . 36.1 t90 -77.23 -55.95 4.98 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.735 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' S' ' 99' ' ' TRP . 2.7 tp -33.94 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.265 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' S' ' 99' ' ' TRP . 0.0 OUTLIER -63.38 -43.03 98.8 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.349 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.3 mt-10 -68.47 -33.33 73.97 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.7 p -85.84 -41.36 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 C-N-CA 118.107 -1.437 . . . . 0.0 113.917 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.38 -34.51 17.56 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.914 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.303 -1.424 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.71 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -88.82 -19.55 25.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -103.88 -42.39 5.6 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.494 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 24.2 t-105 -49.25 -13.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -114.42 -66.05 1.13 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.317 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -36.66 -45.16 0.5 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . 0.41 ' C ' ' N ' ' R' ' 24' ' ' ASP . 55.0 m-85 -81.76 -45.69 15.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.511 -1.276 . . . . 0.0 111.049 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 t -55.32 -15.96 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.257 -1.377 . . . . 0.0 109.018 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' R' ' 22' ' ' PHE . 79.6 m-20 -80.03 -25.2 40.28 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.822 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -81.25 -21.05 39.72 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -48.02 81.14 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.48 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . 0.428 ' CB ' ' HZ1' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -63.09 -37.71 88.29 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.453 -1.299 . . . . 0.0 110.187 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.76 -52.98 16.68 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.346 -1.341 . . . . 0.0 110.03 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.43 95.21 Favored 'General case' 0 C--N 1.305 -1.37 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.5 m-85 -51.63 -68.62 0.15 Allowed 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 116.986 -1.886 . . . . 0.0 109.518 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.1 OUTLIER 11.02 -69.34 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 126.864 2.602 . . . . 0.0 110.633 -179.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.7 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -96.07 -91.54 0.23 Allowed 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -151.51 23.37 0.71 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.9 15.62 2.19 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.504 -1.278 . . . . 0.0 113.914 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.745 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 6.7 p-80 -92.59 -34.36 14.05 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.001 -1.48 . . . . 0.0 111.007 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.2 -49.17 83.09 Favored Pre-proline 0 N--CA 1.489 1.511 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -58.77 -64.55 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 CA-C-N 118.829 0.618 . . . . 0.0 112.198 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' R' ' 39' ' ' LEU . 1.1 pp -61.15 -31.07 70.8 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.674 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 36.4 tp -64.56 -34.65 78.73 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.471 -1.292 . . . . 0.0 109.346 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' R' ' 43' ' ' LEU . 2.2 m120 -72.96 -35.06 66.85 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.315 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' R' ' 41' ' ' LEU . 0.0 OUTLIER -45.27 -26.04 0.46 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' R' R ' 42' ' ' MET . . . . . 0.418 ' C ' ' H ' ' R' ' 44' ' ' THR . 0.0 OUTLIER -102.65 41.25 1.26 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.822 0.82 . . . . 0.0 109.227 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' R' ' 40' ' ' ASN . 2.9 mt -69.51 11.47 0.25 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.653 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.418 ' H ' ' C ' ' R' ' 42' ' ' MET . 3.1 p -54.13 147.08 27.38 Favored Pre-proline 0 C--N 1.3 -1.553 0 C-N-CA 118.294 -1.362 . . . . 0.0 110.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.82 -28.15 75.31 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.33 1.354 . . . . 0.0 111.708 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -60.13 -52.66 64.4 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 5.3 mm-40 -60.17 -36.01 76.65 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -59.37 4.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.526 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.76 -21.34 10.75 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.5 -24.86 25.4 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 1.4 tm? -70.36 -75.73 0.11 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.413 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' R' ' 51' ' ' LEU . . . -37.59 -45.64 1.44 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.947 -1.121 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 53' ' ' THR . . . . . 0.611 ' HG1' ' H ' ' R' ' 54' ' ' ARG . 13.9 p -61.49 -60.85 3.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.972 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . 0.611 ' H ' ' HG1' ' R' ' 53' ' ' THR . 37.9 ttm180 -37.54 -27.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' R' ' 53' ' ' THR . 12.6 t -85.9 -35.51 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 119.228 -0.989 . . . . 0.0 111.958 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' R' ' 53' ' ' THR . 5.5 mmt85 -54.93 -47.3 74.61 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.975 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.0 OUTLIER -53.47 -72.39 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.99 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.7 t -40.5 -53.28 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.764 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -45.76 -39.05 7.7 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' R' ' 57' ' ' ILE . 2.1 tp10 -68.61 -52.29 33.14 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.803 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.786 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' R' ' 95' ' ' GLU . 5.3 Cg_endo . . . . . 0 C--O 1.213 -0.73 0 N-CA-C 111.099 -0.385 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.77 -24.69 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' R' ' 93' ' ' PRO . 9.3 mm-40 -67.07 -38.54 85.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.414 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' R' ' 98' ' ' GLN . 17.9 tp -71.15 -46.43 61.49 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.745 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -43.52 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.477 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' R' ' 96' ' ' LEU . 38.3 mm-40 -54.5 -58.43 7.48 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -88.34 -51.67 5.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 118.454 -1.298 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 tp -46.02 -22.66 0.23 Allowed 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' R' ' 101' ' ' GLU . 16.2 tt0 -71.33 -4.23 24.93 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.294 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.81 -28.01 7.23 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.624 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 0.3 OUTLIER -86.75 -45.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . 0.441 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 48.9 mt -87.53 -62.44 1.5 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 118.296 -1.361 . . . . 0.0 112.113 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' R' ' 104' ' ' LEU . 3.1 tp . . . . . 0 N--CA 1.494 1.758 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.754 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' S' ' 16' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 121.475 0.655 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -99.38 -40.03 8.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.423 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' S' ' 19' ' ' TRP . 2.2 mm-40 -96.96 -31.75 12.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.828 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . 0.431 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 63.3 t-105 -38.16 -46.58 1.06 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.395 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.92 -54.47 5.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -49.71 3.87 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' S' ' 25' ' ' LEU . 42.7 t80 -82.47 -66.03 0.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 11.9 m -34.95 -39.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.994 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.409 ' N ' ' CG2' ' S' ' 23' ' ' VAL . 0.2 OUTLIER -58.55 -44.01 89.5 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.968 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' S' ' 22' ' ' PHE . 39.7 mt -63.93 -39.98 95.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.178 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.81 -39.04 62.07 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 118.969 -1.093 . . . . 0.0 110.051 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -67.62 -28.69 67.95 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.782 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -66.55 -45.71 78.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.052 -1.059 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.46 93.58 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.622 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -47.04 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.714 -0.795 . . . . 0.0 110.461 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.563 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.6 tt0 -15.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.213 1.571 . . . . 0.0 113.393 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' S' ' 34' ' ' LEU . 29.9 m120 -73.38 33.85 0.08 Allowed 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.1 OUTLIER 32.39 28.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.754 0.787 . . . . 0.0 111.244 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.6 OUTLIER -93.25 14.05 19.4 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.766 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.766 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 5.0 p-80 -97.96 4.53 49.42 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.973 -1.012 . . . . 0.0 113.381 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 -52.28 39.24 Favored Pre-proline 0 C--N 1.298 -1.647 0 C-N-CA 117.081 -1.848 . . . . 0.0 111.767 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' S' ' 40' ' ' ASN . 5.1 Cg_exo -63.12 -67.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.054 0 N-CA-C 110.322 -0.684 . . . . 0.0 110.322 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.6 OUTLIER -44.62 -52.43 8.15 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.05 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 63.1 tp -47.67 -38.38 14.82 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 118.306 -1.358 . . . . 0.0 109.834 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -81.57 -20.66 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.99 -34.1 67.79 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 46.97 1.43 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.98 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' S' ' 44' ' ' THR . 5.2 mt -81.92 -80.06 0.16 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.19 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.538 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.0 OUTLIER 46.53 171.63 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.438 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -75.73 -42.92 0.38 Allowed 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 120.904 1.069 . . . . 0.0 112.175 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -55.25 -60.91 2.74 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.129 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.83 -25.72 65.7 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.32 -0.952 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -57.09 -46.25 82.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.743 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' S' ' 49' ' ' GLU . 14.1 tt0 -84.57 4.07 33.81 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.16 -24.82 13.55 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' S' ' 52' ' ' GLY . 4.0 pp -63.68 -51.5 64.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.389 -1.325 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' S' ' 51' ' ' LEU . . . -56.58 -50.15 64.98 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 118.908 -1.615 . . . . 0.0 109.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 53' ' ' THR . . . . . 0.478 ' H ' ' HG1' ' S' ' 53' ' ' THR . 2.3 m -57.41 -58.64 7.38 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.363 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -44.87 -23.8 0.16 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.741 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 76.2 t -91.29 -35.7 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 119.042 -1.063 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' S' ' 57' ' ' ILE . 3.2 mtm-85 -58.57 -47.86 82.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.296 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.2 OUTLIER -45.09 -76.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 119.134 -1.026 . . . . 0.0 109.394 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' S' ' 57' ' ' ILE . 33.3 t -29.91 -58.01 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 124.239 0.962 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.28 -69.19 0.19 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.723 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -179.651 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.403 0.62 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.29 -11.0 42.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.817 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -45.88 9.8 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -25.16 2.4 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.178 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -63.72 0.95 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.245 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' S' ' 100' ' ' LEU . 34.9 t90 -83.46 -60.12 2.23 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.787 -1.165 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' S' ' 99' ' ' TRP . 1.5 tp -30.26 -53.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.484 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.14 -48.94 78.7 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.598 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.42 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.8 -0.76 . . . . 0.0 112.87 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.43 -22.91 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 119.176 -1.01 . . . . 0.0 112.996 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -39.07 8.21 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.056 -1.057 . . . . 0.0 112.374 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.49 1.548 0 C-N-CA 118.781 -1.168 . . . . 0.0 111.564 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.716 0.293 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -89.07 -20.19 24.66 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' R' ' 20' ' ' LEU . 3.8 pt-20 -106.04 -36.95 6.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.638 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.454 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.4 t-105 -48.48 -10.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.387 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' R' ' 18' ' ' GLU . 34.3 mt -112.7 -53.2 2.73 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -58.24 9.05 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -48.24 24.26 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.852 -1.139 . . . . 0.0 113.914 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.65 -39.68 10.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.477 -1.289 . . . . 0.0 111.787 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -28.1 69.19 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.74 -33.05 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.577 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.86 -45.78 64.2 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.316 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -62.69 -26.96 68.92 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -54.49 37.1 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.125 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.48 21.31 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.492 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' R' ' 32' ' ' ASN . 9.8 m-85 -46.93 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.866 -1.534 . . . . 0.0 110.449 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.0 OUTLIER 1.5 -68.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.767 2.542 . . . . 0.0 112.256 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.4 m-80 -76.34 -98.46 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.509 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.972 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.07 23.8 0.49 Allowed 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 3.2 mm? -89.83 10.34 24.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 6.4 p-80 -67.96 -53.22 27.79 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.019 -1.872 . . . . 0.0 110.168 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.3 mm? -26.7 -63.01 0.16 Allowed Pre-proline 0 N--CA 1.506 2.335 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 4.7 Cg_endo -53.01 -90.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 120.922 1.081 . . . . 0.0 113.262 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' R' ' 39' ' ' LEU . 0.6 OUTLIER -48.15 -46.33 34.33 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 119.1 -1.04 . . . . 0.0 111.619 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' R' ' 38' ' ' LEU . 40.0 tp -35.49 -46.21 0.38 Allowed 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.661 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' R' ' 42' ' ' MET . 12.0 t-20 -71.49 -43.44 66.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.536 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' R' ' 38' ' ' LEU . 3.6 tp -67.95 4.56 1.14 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.555 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 42' ' ' MET . . . . . 0.491 ' H ' ' C ' ' R' ' 40' ' ' ASN . 1.1 tmt? -106.67 -35.77 6.92 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.135 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' R' ' 44' ' ' THR . 12.7 mt -101.01 -32.1 10.78 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.473 -0.891 . . . . 0.0 112.766 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.503 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER 56.05 156.58 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.542 -0.863 . . . . 0.0 108.783 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -40.85 -61.46 0.48 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.605 1.536 . . . . 0.0 113.039 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.13 -58.29 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.11 -9.47 56.62 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 118.689 -1.205 . . . . 0.0 111.948 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -66.76 -64.74 0.79 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 117.729 -1.588 . . . . 0.0 109.683 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.9 -24.68 3.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.6 81.44 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.9 -36.21 7.3 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.072 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.27 58.25 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 9.5 m -50.62 -24.65 3.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' R' ' 56' ' ' ARG . 0.0 OUTLIER -72.92 -66.37 0.68 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.314 -0.954 . . . . 0.0 109.181 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 88.1 t -45.85 -15.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 C-N-CA 119.254 -0.979 . . . . 0.0 110.732 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' R' ' 54' ' ' ARG . 0.0 OUTLIER -67.69 -49.17 64.08 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.688 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -62.71 -76.59 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 118.536 -1.266 . . . . 0.0 110.073 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.6 m -35.39 -46.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.493 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.91 -45.68 89.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.6 -30.38 62.96 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.733 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 119.124 -1.031 . . . . 0.0 111.386 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo . . . . . 0 C--O 1.214 -0.707 0 N-CA-C 110.545 -0.598 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.72 -21.7 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.31 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.51 -10.54 26.43 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.021 -1.072 . . . . 0.0 110.294 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' R' ' 98' ' ' GLN . 1.4 tt -94.05 -40.13 10.24 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.385 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . 0.445 ' CG ' HH11 ' R' ' 97' ' ' ARG . 4.0 mtp85 -54.11 -19.09 4.41 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.314 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' R' ' 96' ' ' LEU . 1.1 mm100 -47.0 -53.36 12.58 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -95.99 -53.98 3.48 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.103 -1.039 . . . . 0.0 112.144 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.42 -53.99 2.53 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -50.76 -22.47 2.14 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.373 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.99 -27.52 17.78 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.433 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.47 -42.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 118.488 -1.285 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.18 -51.07 8.83 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.518 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.833 0.349 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -114.19 -45.45 3.05 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.77 -19.45 27.51 Favored 'General case' 0 C--N 1.307 -1.283 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -63.06 -23.08 67.28 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.9 -60.71 1.6 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.942 -0.703 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm-85 -58.07 -41.88 84.35 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -44.34 14.34 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.429 -1.309 . . . . 0.0 112.677 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.15 -30.93 30.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 118.151 -1.42 . . . . 0.0 109.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.1 -22.24 62.53 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.304 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.26 -36.66 26.9 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.435 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.16 -43.17 70.39 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.065 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -22.75 66.78 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -57.99 5.94 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 118.561 -1.255 . . . . 0.0 110.207 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.61 63.77 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.408 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.724 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -45.18 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 118.679 -1.209 . . . . 0.0 110.602 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' S' ' 33' ' ' ASP . 7.7 mt-30 -16.02 -70.87 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 125.354 1.658 . . . . 0.0 112.954 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.624 ' N ' HD21 ' S' ' 32' ' ' ASN . 1.6 m120 -75.63 36.16 0.13 Allowed 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.152 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.724 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 30.06 30.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.214 0.946 . . . . 0.0 111.622 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.3 OUTLIER -96.28 15.42 21.16 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.83 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.699 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 16.2 p-80 -94.05 -10.84 32.16 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.882 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.471 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.0 mt -57.04 -44.85 99.94 Favored Pre-proline 0 C--N 1.296 -1.727 0 C-N-CA 117.538 -1.665 . . . . 0.0 113.094 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 2.2 Cg_endo -66.53 -58.68 0.15 Allowed 'Trans proline' 0 C--N 1.32 -0.926 0 C-N-CA 120.373 0.716 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 1.5 pp -60.23 -42.51 95.39 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.545 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' S' ' 38' ' ' LEU . 16.1 tp -48.73 -44.4 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 118.145 -1.422 . . . . 0.0 107.275 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.58 -33.95 34.85 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.03 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.65 -22.62 64.39 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mtm -104.03 -3.74 24.2 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.951 -0.7 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.7 OUTLIER -42.12 -66.75 0.32 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.022 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.473 ' O ' ' O ' ' S' ' 43' ' ' LEU . 7.3 m 56.37 119.65 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 123.646 0.591 . . . . 0.0 110.065 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -52.79 -60.51 0.7 Allowed 'Trans proline' 0 C--O 1.214 -0.681 0 C-N-CA 120.731 0.954 . . . . 0.0 113.026 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -42.3 -36.97 1.38 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.666 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.469 ' OE2' ' NH2' ' R' ' 54' ' ' ARG . 4.4 mm-40 -81.07 -38.13 27.86 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.389 -0.925 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -48.39 -54.4 14.15 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.967 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -63.26 -10.18 14.72 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.073 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -39.83 11.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.16 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -51.5 -55.69 17.5 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 118.781 -1.167 . . . . 0.0 111.59 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.36 -51.82 53.75 Favored Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -51.61 -58.36 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.918 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -53.5 -47.37 69.93 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -44.98 -35.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.646 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -45.06 89.26 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.429 -0.908 . . . . 0.0 113.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.57 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.3 pt -54.11 -56.51 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 118.349 -1.34 . . . . 0.0 112.209 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.57 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 0.7 OUTLIER -50.19 -43.33 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 118.268 -1.373 . . . . 0.0 110.687 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' S' ' 58' ' ' VAL . 52.0 mt-10 -71.87 -79.62 0.07 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.81 -1.156 . . . . 0.0 111.445 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.71 -6.51 8.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' S' ' 98' ' ' GLN . 13.9 tp -87.19 -60.5 1.96 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.445 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' S' ' 96' ' ' LEU . 7.6 mtt-85 -40.57 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.657 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' S' ' 96' ' ' LEU . 61.4 mm-40 -57.71 -57.47 12.61 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -79.43 -56.04 4.62 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.785 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.93 -29.36 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.29 -33.05 75.06 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.569 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.821 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -92.87 -27.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -113.65 -50.91 2.82 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 118.997 -1.081 . . . . 0.0 113.714 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.392 -179.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -125.15 -78.42 0.6 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.8 OUTLIER -67.44 -37.03 82.37 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.538 -0.865 . . . . 0.0 111.486 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -41.94 -23.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.598 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' R' ' 18' ' ' GLU . 13.3 mt -90.66 -47.52 7.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.076 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -56.87 -30.64 64.04 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.284 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' R' ' 24' ' ' ASP . 9.8 t80 -69.61 -75.2 0.12 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.477 -1.289 . . . . 0.0 110.605 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 22' ' ' PHE . 16.4 m -38.67 -29.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.663 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . 0.488 ' O ' ' ND2' ' R' ' 28' ' ' ASN . 6.2 t70 -66.25 -59.19 3.97 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.299 -0.961 . . . . 0.0 109.734 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.04 -42.54 76.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.76 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.812 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -49.65 -15.07 0.14 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.859 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' R' ' 24' ' ' ASP . 1.0 OUTLIER -77.4 -55.42 5.41 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.599 -1.241 . . . . 0.0 109.775 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.88 -39.52 39.8 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.627 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.4 m-85 -50.38 -65.15 0.61 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 117.599 -1.64 . . . . 0.0 109.509 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' R' ' 30' ' ' TYR . 3.7 tp-100 7.28 -70.4 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 126.777 2.548 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' R' ' 30' ' ' TYR . 5.1 t-20 -86.52 -96.04 0.08 Allowed 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 117.921 -1.511 . . . . 0.0 107.742 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . 0.458 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 58.5 m-20 -150.83 24.56 0.76 Allowed 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.03 10.17 25.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 117.683 -1.607 . . . . 0.0 113.846 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.565 ' CG ' ' H ' ' R' ' 36' ' ' LEU . 12.8 p-80 -57.02 -56.59 19.8 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 117.675 -1.61 . . . . 0.0 110.86 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.565 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 4.4 mt -32.11 -64.83 0.22 Allowed Pre-proline 0 N--CA 1.504 2.27 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 3.9 Cg_exo -46.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.851 1.034 . . . . 0.0 113.163 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.1 OUTLIER -58.85 -41.6 87.35 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.911 -1.516 . . . . 0.0 109.882 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.446 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.0 tp -47.72 -32.24 5.6 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.322 -1.351 . . . . 0.0 108.668 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -88.34 -27.76 21.45 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.234 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -45.35 -52.91 9.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 50.62 1.33 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.903 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' R' ' 44' ' ' THR . 1.5 mt -59.09 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.477 ' O ' ' O ' ' R' ' 43' ' ' LEU . 1.7 p 56.2 152.78 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.511 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.14 -29.34 86.87 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 C-N-CA 120.769 0.979 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.16 -47.45 68.77 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.51 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.3 -47.12 45.32 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -49.6 -24.37 2.14 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -100.05 -49.24 4.37 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.046 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.64 68.11 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 3.1 tm? -66.55 -72.71 0.15 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.04 -36.96 5.39 Favored Glycine 0 N--CA 1.483 1.777 0 C-N-CA 119.214 -1.469 . . . . 0.0 109.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -73.03 -39.52 65.9 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -58.89 -24.96 62.91 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.01 -25.99 6.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.444 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -57.01 10.39 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.763 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.5 OUTLIER -49.61 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.81 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.439 ' H ' HG13 ' R' ' 57' ' ' ILE . 49.9 t -34.86 -60.13 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.769 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -44.36 -39.65 4.79 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' R' ' 57' ' ' ILE . 4.3 mt-10 -76.96 -48.55 17.75 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 N--CA 1.486 1.365 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.584 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' R' ' 95' ' ' GLU . 5.9 Cg_exo . . . . . 0 N--CA 1.479 0.64 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.06 -7.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.43 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' R' ' 93' ' ' PRO . 2.6 mt-10 -85.08 3.9 36.61 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.587 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.94 -49.54 4.74 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -48.62 -24.64 1.41 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.426 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -55.44 -63.83 1.04 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.299 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' R' ' 100' ' ' LEU . 31.2 t90 -72.51 -60.96 1.98 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.251 -1.38 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' R' ' 99' ' ' TRP . 0.1 OUTLIER -33.49 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.476 -1.238 . . . . 0.0 113.167 -179.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.03 -43.99 73.63 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.723 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.91 -42.96 76.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 2.2 p -72.65 -34.56 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.12 -0.76 46.48 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.867 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.31 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.63 -33.64 64.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.947 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.55 -25.09 16.98 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.813 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -46.46 -30.02 2.0 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.21 -27.02 6.99 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -51.14 34.12 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.723 -1.191 . . . . 0.0 111.142 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -78.08 -42.22 32.83 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 37.3 t -54.1 -34.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 118.889 -1.125 . . . . 0.0 109.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.67 -30.14 69.73 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 118.803 -1.159 . . . . 0.0 109.4 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.42 -23.82 46.47 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.77 -33.59 75.49 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 117.842 -1.543 . . . . 0.0 107.824 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -22.34 59.31 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.962 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . 0.483 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 6.7 m-80 -71.83 -37.08 70.36 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.246 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' S' ' 30' ' ' TYR . . . -73.0 -44.69 60.74 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 4.3 m-85 -45.82 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.75 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.539 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.0 OUTLIER -14.2 -65.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.556 1.785 . . . . 0.0 113.02 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.587 ' O ' ' N ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER -76.41 35.03 0.14 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.119 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 6.1 t0 31.23 28.61 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.533 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.7 mp -95.69 15.37 20.23 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.635 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 15.1 p-80 -88.57 -28.61 20.61 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.692 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.4 mt -36.92 -55.53 1.58 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.371 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -58.33 -66.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.317 -1.095 0 CA-C-N 118.699 0.571 . . . . 0.0 111.193 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -49.91 -32.18 14.03 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -61.58 -68.08 0.35 Allowed 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.703 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.59 -30.27 0.88 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.42 -41.37 6.17 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.716 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -123.97 64.86 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.4 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.576 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.0 OUTLIER -86.9 -46.53 9.81 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.405 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.576 ' O ' ' O ' ' S' ' 43' ' ' LEU . 3.5 p 43.74 126.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.224 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -58.14 -25.94 73.68 Favored 'Trans proline' 0 C--O 1.219 -0.46 0 CA-C-N 118.852 0.626 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.9 -51.39 68.34 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' S' ' 46' ' ' ASP . 18.7 mt-10 -69.63 -23.63 63.53 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.493 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -59.32 -49.21 78.68 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.783 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.25 -18.56 49.72 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 -10.26 25.59 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.614 -0.835 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -63.78 -77.47 0.05 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.928 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.51 -42.69 19.84 Favored Glycine 0 N--CA 1.481 1.648 0 C-N-CA 118.678 -1.725 . . . . 0.0 109.278 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -56.41 -32.77 65.15 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . 0.449 ' NE ' ' CZ ' ' R' ' 22' ' ' PHE . 12.2 ttp180 -67.94 -25.49 65.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.19 -27.99 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.373 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' S' ' 57' ' ' ILE . 1.6 mtm180 -68.45 -55.42 11.91 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' S' ' 56' ' ' ARG . 0.4 OUTLIER -40.99 -77.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.579 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.24 -61.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.55 -72.43 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.454 -0.898 . . . . 0.0 112.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.76 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 121.156 0.503 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.27 -35.87 58.71 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.528 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.52 -42.88 86.59 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -50.35 -25.89 4.32 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.551 -0.86 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -59.82 -63.8 1.17 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.557 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.1 t90 -66.57 -64.94 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.339 -1.345 . . . . 0.0 109.965 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -23.47 -54.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.56 1.163 . . . . 0.0 112.326 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.57 -45.82 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.821 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' S' ' 99' ' ' TRP . 35.5 mm-40 -73.1 -12.25 60.83 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.71 -36.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 118.75 -1.18 . . . . 0.0 113.511 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.8 mt -104.77 -82.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.183 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.304 -1.4 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.437 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.1 t-80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.527 0.203 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.49 -19.58 0.91 Allowed 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.555 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' R' ' 16' ' ' HIS . 2.0 tt0 -93.01 -28.88 16.13 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.381 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' R' ' 16' ' ' HIS . 75.6 t-105 -61.51 -5.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.732 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' R' ' 18' ' ' GLU . 91.3 mt -118.78 -48.13 2.48 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.311 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -53.7 55.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.72 -38.03 55.01 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.988 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.89 -26.39 24.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.551 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.84 -14.34 62.37 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.103 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.04 -39.93 11.36 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -47.07 -31.42 3.36 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -72.94 -44.76 60.78 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.983 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . 0.408 ' N ' HD21 ' R' ' 28' ' ' ASN . 1.1 m-80 -47.8 -44.23 28.49 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.005 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -67.71 -59.68 3.14 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.712 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -36.96 -67.32 0.18 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.7 tt0 8.95 -67.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 126.929 2.643 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.712 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.5 t-20 -98.16 -90.48 0.28 Allowed 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -153.66 25.44 0.51 Allowed 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.51 18.01 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -100.12 -27.72 13.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.041 -1.063 . . . . 0.0 110.693 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.411 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 1.1 mt -51.25 -48.98 84.3 Favored Pre-proline 0 N--CA 1.488 1.434 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 6.2 Cg_endo -68.06 -58.64 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 120.013 0.475 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.479 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -55.78 -33.37 64.29 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.121 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.3 tp -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.42 -1.312 . . . . 0.0 108.367 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -74.4 -20.31 60.1 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -47.39 -57.12 5.66 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.182 -1.007 . . . . 0.0 109.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 42' ' ' MET . . . . . 0.437 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -107.23 51.48 0.74 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.3 OUTLIER -73.02 8.3 1.65 Allowed 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.763 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.448 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 1.0 OUTLIER -42.34 154.3 0.28 Allowed Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.842 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.48 -19.09 27.76 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 121.182 1.255 . . . . 0.0 111.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.59 63.7 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.761 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' R' ' 44' ' ' THR . 17.0 mp0 -82.47 -37.6 25.13 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -48.06 -52.73 18.96 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -48.98 -22.77 0.93 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.677 -0.809 . . . . 0.0 111.299 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -99.4 -63.92 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.563 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' R' ' 50' ' ' ALA . 0.7 OUTLIER -30.53 -71.41 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 123.686 0.616 . . . . 0.0 111.815 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.76 -59.12 7.62 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.508 -1.33 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 15.23 1.22 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.421 -0.911 . . . . 0.0 112.253 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' R' ' 50' ' ' ALA . 15.8 ttt180 -106.81 -37.4 6.39 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -29.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.581 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -56.27 -48.04 77.39 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.846 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.494 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -50.9 -75.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.569 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' R' ' 57' ' ' ILE . 96.4 t -28.17 -50.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 124.338 1.024 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . 0.4 ' CG ' ' CE1' ' S' ' 22' ' ' PHE . 1.6 mm-40 -61.06 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.49 -48.29 2.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.463 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.489 1.518 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.855 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo . . . . . 0 C--O 1.213 -0.733 0 N-CA-C 111.053 -0.403 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.07 -14.68 12.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.592 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.63 -7.91 59.07 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.247 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -41.6 14.86 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.69 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -51.56 -25.62 7.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.9 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -48.05 -64.85 0.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . 0.407 ' O ' ' N ' ' R' ' 102' ' ' GLU . 32.4 t90 -76.39 -57.29 3.95 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.95 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.22 -29.96 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.654 -1.157 . . . . 0.0 113.009 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.05 -31.68 61.35 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.476 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' R' ' 99' ' ' TRP . 48.0 mt-10 -82.33 -17.78 44.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 10.8 p -97.83 -49.43 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . 0.488 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 5.1 mt -90.74 -29.94 17.35 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.425 -1.31 . . . . 0.0 112.904 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.506 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.673 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . 0.516 ' C ' ' H ' ' S' ' 18' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.23 23.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' S' ' 16' ' ' HIS . 4.6 pt-20 -156.53 -42.09 0.07 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.708 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -48.09 -19.1 0.24 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.207 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' S' ' 18' ' ' GLU . 26.1 mt -125.07 -60.88 1.33 Allowed 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -38.9 0.37 Allowed 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.461 -1.245 . . . . 0.0 113.491 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' S' ' 23' ' ' VAL . 24.0 m-85 -113.87 -35.7 5.04 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.719 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' S' ' 22' ' ' PHE . 2.7 t -47.52 -27.96 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 118.185 -1.406 . . . . 0.0 108.607 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.94 87.23 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.251 -0.98 . . . . 0.0 108.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' S' ' 22' ' ' PHE . 16.9 mt -65.35 -28.93 69.64 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.533 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -54.82 -44.36 73.78 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.028 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.93 -62.17 1.98 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.676 -1.21 . . . . 0.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.64 -49.09 19.66 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.331 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.783 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.7 m-85 -49.87 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' S' ' 30' ' ' TYR . 53.6 tt0 -13.62 -68.48 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 125.4 1.688 . . . . 0.0 112.244 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 7.2 m120 -78.07 36.96 0.24 Allowed 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.783 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 31.89 27.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.878 0.736 . . . . 0.0 111.746 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.5 tp -96.55 13.44 28.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.807 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 2.5 p-80 -81.07 -27.7 35.59 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 118.337 -1.345 . . . . 0.0 111.332 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.7 mm? -34.69 -57.04 0.79 Allowed Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.829 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -49.63 -70.52 0.06 OUTLIER 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 120.636 0.891 . . . . 0.0 112.736 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -57.95 -40.02 79.5 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.3 OUTLIER -51.78 -61.78 2.04 Favored 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 118.059 -1.456 . . . . 0.0 108.063 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.49 -37.22 0.67 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.836 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.36 -42.14 14.5 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.57 -1.252 . . . . 0.0 109.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.96 33.41 3.05 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.666 -0.814 . . . . 0.0 112.891 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 3.99 1.86 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.235 -0.986 . . . . 0.0 111.758 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 44' ' ' THR . . . . . . . . . . . . . 47.3 p -45.55 148.62 1.2 Allowed Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.89 -21.51 20.96 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.916 1.078 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.39 -19.33 65.9 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.734 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 -43.64 4.08 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.779 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -53.17 -51.3 62.48 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -68.86 -38.51 79.78 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.365 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.28 77.95 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.646 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.98 -53.16 60.24 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.179 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.17 -39.15 2.92 Favored Glycine 0 N--CA 1.492 2.419 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -71.84 -52.37 17.8 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -48.49 -27.39 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.01 -47.7 22.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.766 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -50.48 -64.68 0.73 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.446 HG22 ' H ' ' S' ' 58' ' ' VAL . 1.0 OUTLIER -46.02 -56.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 C-N-CA 119.212 -0.995 . . . . 0.0 112.9 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.446 ' H ' HG22 ' S' ' 57' ' ' ILE . 99.7 t -49.43 -64.55 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 118.487 -1.285 . . . . 0.0 110.728 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.94 -58.38 7.86 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.803 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.39 -2.62 23.03 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.421 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.83 -56.37 4.74 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.304 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.42 -35.05 26.78 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.189 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.82 -53.19 60.37 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 32.0 t90 -67.97 -55.72 11.68 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.161 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 tp -42.33 -32.08 0.47 Allowed 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.741 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.54 -23.12 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.556 -0.858 . . . . 0.0 112.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.0 -26.35 20.38 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . 0.404 HG11 ' H ' ' S' ' 104' ' ' LEU . 1.5 p -89.86 -43.65 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 C-N-CA 118.643 -1.223 . . . . 0.0 113.544 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . 0.404 ' H ' HG11 ' S' ' 103' ' ' VAL . 96.4 mt -93.71 -67.11 0.87 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.018 -1.073 . . . . 0.0 112.153 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' S' ' 104' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.595 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.647 0.26 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.61 1.77 25.47 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' R' ' 20' ' ' LEU . 23.7 mm-40 -113.79 -41.13 3.63 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.06 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.504 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 42.6 t-105 -44.73 -10.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.426 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' R' ' 18' ' ' GLU . 20.1 mt -113.56 -73.55 0.66 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.678 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -37.57 -49.32 1.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.46 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.37 -49.42 19.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' R' ' 19' ' ' TRP . 98.7 t -54.38 -22.81 9.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.69 -36.25 75.8 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.38 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.43 -22.86 62.67 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.366 -0.933 . . . . 0.0 109.307 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tp -57.63 -50.44 73.15 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.73 -1.188 . . . . 0.0 110.33 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -20.81 64.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.476 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -64.54 -50.06 68.79 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.401 -1.319 . . . . 0.0 109.077 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -59.19 -51.98 67.67 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.735 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -43.07 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.438 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' R' ' 30' ' ' TYR . 22.0 tp60 3.82 -67.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.955 2.659 . . . . 0.0 111.41 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.1 m-20 -83.35 -95.56 0.06 Allowed 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 117.653 -1.619 . . . . 0.0 107.161 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.22 23.83 0.55 Allowed 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 2.9 mm? -88.59 10.06 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.7 p-80 -75.73 -37.75 59.11 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 117.014 -1.874 . . . . 0.0 110.774 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 35' ' ' HIS . 3.9 mt -34.4 -59.32 0.58 Allowed Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.45 -81.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 120.521 0.814 . . . . 0.0 112.386 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -52.18 -36.73 52.66 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.283 -1.367 . . . . 0.0 109.678 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.6 tp -57.57 -32.77 67.48 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.744 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' R' ' 42' ' ' MET . 5.8 m-20 -81.45 -15.95 53.51 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.083 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.44 -11.06 3.84 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 117.777 -1.569 . . . . 0.0 108.603 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 42' ' ' MET . . . . . 0.453 ' H ' ' C ' ' R' ' 40' ' ' ASN . 6.1 mmt -128.77 30.39 5.11 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.452 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.2 OUTLIER -74.99 5.98 4.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.509 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.438 ' C ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -40.23 160.02 0.13 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.521 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -52.43 -67.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.07 1.18 . . . . 0.0 111.613 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' R' ' 46' ' ' ASP . 0.0 OUTLIER -44.96 -36.2 3.26 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.393 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.62 -31.81 47.15 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.505 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -68.71 -61.55 1.76 Allowed 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.49 -3.19 1.31 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.821 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.52 -46.41 6.99 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.18 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.48 -57.5 3.06 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -51.62 -77.23 0.14 Allowed Glycine 0 N--CA 1.492 2.393 0 C-N-CA 119.981 -1.104 . . . . 0.0 112.185 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -20.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.469 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' R' ' 52' ' ' GLY . 0.3 OUTLIER -79.55 -72.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.837 -1.145 . . . . 0.0 111.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -14.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 118.317 -1.353 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' R' ' 54' ' ' ARG . 1.2 mmm-85 -71.35 -39.28 71.4 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.743 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 2.9 pt -58.97 -53.6 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 118.744 -1.182 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.555 ' N ' ' CG1' ' R' ' 57' ' ' ILE . 4.9 m -53.42 -45.1 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 118.341 -1.343 . . . . 0.0 109.934 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -66.65 0.43 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.186 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.48 -15.53 38.55 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.804 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.489 1.517 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.512 -179.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' R' ' 95' ' ' GLU . 1.1 Cg_endo . . . . . 0 C--O 1.216 -0.61 0 N-CA-C 110.885 -0.467 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' R' ' 96' ' ' LEU . 60.5 t -48.49 -13.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' R' ' 93' ' ' PRO . 2.3 mm-40 -69.91 3.99 2.31 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.882 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' R' ' 94' ' ' VAL . 17.1 tp -97.62 -56.66 2.45 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -22.6 0.08 Allowed 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' R' ' 96' ' ' LEU . 18.9 mt-30 -52.81 -55.14 25.18 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' R' ' 102' ' ' GLU . 57.8 t90 -87.61 -54.19 4.4 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 tp -35.38 -38.13 0.1 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.036 -0.984 . . . . 0.0 113.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.13 -29.99 62.08 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.134 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.9 mm-40 -84.87 -18.18 35.63 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.628 -0.829 . . . . 0.0 113.073 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -96.42 -30.31 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.866 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mt -105.8 -51.89 2.91 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.325 -0.95 . . . . 0.0 112.163 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -72.23 -40.78 67.5 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.408 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' S' ' 20' ' ' LEU . 18.7 mt-10 -75.22 -51.53 13.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.217 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . 0.462 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 72.9 t-105 -35.77 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' S' ' 18' ' ' GLU . 12.5 mt -108.32 -67.95 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.16 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' S' ' 20' ' ' LEU . 18.3 mtp85 -32.24 -47.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' S' ' 24' ' ' ASP . 49.9 m-85 -89.7 -40.54 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.427 -1.309 . . . . 0.0 111.626 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 72.4 t -56.51 -12.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 C-N-CA 117.933 -1.507 . . . . 0.0 108.61 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' S' ' 22' ' ' PHE . 11.6 t0 -71.94 -32.79 67.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.336 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.45 -29.05 41.63 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.555 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 tp -51.25 -47.0 62.55 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -63.63 -50.87 67.65 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 1.4 m120 -42.16 -40.6 2.39 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.037 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' S' ' 30' ' ' TYR . . . -70.65 -49.36 48.21 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.066 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.9 m-85 -44.42 -83.22 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 118.894 -1.123 . . . . 0.0 109.788 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.587 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.6 tp-100 -16.6 -64.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 O-C-N 125.612 1.82 . . . . 0.0 112.498 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' S' ' 34' ' ' LEU . 2.5 m120 -73.2 32.92 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.729 ' N ' ' O ' ' S' ' 30' ' ' TYR . 7.3 t0 30.7 28.33 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.177 0.923 . . . . 0.0 112.187 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' S' ' 32' ' ' ASN . 4.0 mt -94.9 14.83 20.3 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 118.791 -1.164 . . . . 0.0 110.048 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' S' ' 36' ' ' LEU . 30.0 p-80 -70.32 -37.5 74.73 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.441 -1.304 . . . . 0.0 112.018 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.1 mm? -30.93 -61.12 0.27 Allowed Pre-proline 0 N--CA 1.505 2.289 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -60.77 -78.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.115 1.21 . . . . 0.0 113.537 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 0.6 OUTLIER -46.25 -43.26 15.39 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.203 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' S' ' 38' ' ' LEU . 0.6 OUTLIER -41.8 -71.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.626 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . 0.45 ' O ' ' OG1' ' S' ' 44' ' ' THR . 7.1 t-20 -36.87 -56.51 0.86 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.327 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.97 -21.6 66.22 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.601 -0.84 . . . . 0.0 113.061 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 36.3 mtp -99.27 -58.5 1.92 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.274 -0.97 . . . . 0.0 113.424 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.57 17.12 18.46 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' S' ' 40' ' ' ASN . 0.8 OUTLIER -44.84 -50.38 25.53 Favored Pre-proline 0 N--CA 1.493 1.701 0 C-N-CA 118.204 -1.398 . . . . 0.0 112.435 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' S' ' 47' ' ' GLU . 5.2 Cg_endo -71.83 -60.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 120.463 0.775 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.81 -5.48 0.24 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' S' ' 45' ' ' PRO . 0.2 OUTLIER -62.16 -69.22 0.26 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.068 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -75.72 -20.17 58.55 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.45 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.03 -37.86 15.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.206 -0.998 . . . . 0.0 113.531 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.2 -30.37 9.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -69.89 -74.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.347 -1.341 . . . . 0.0 112.042 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' S' ' 51' ' ' LEU . . . -37.13 -41.97 0.74 Allowed Glycine 0 N--CA 1.49 2.256 0 C-N-CA 120.26 -0.971 . . . . 0.0 111.526 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 53' ' ' THR . . . . . 0.431 ' H ' ' HG1' ' S' ' 53' ' ' THR . 1.7 p -67.88 -56.2 10.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -53.59 -18.9 3.27 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.465 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.61 -34.62 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -63.76 1.13 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.19 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -43.9 -77.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.16 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' S' ' 57' ' ' ILE . 98.7 t -36.22 -71.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' S' ' 58' ' ' VAL . 22.1 tt0 -37.17 -37.04 0.15 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.568 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.32 -9.44 23.56 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.387 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . 0.447 ' C ' ' N ' ' S' ' 98' ' ' GLN . 20.5 tp -89.43 -48.07 7.58 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -25.66 0.61 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.097 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' S' ' 96' ' ' LEU . 11.2 mm100 -46.44 -57.34 4.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.52 ' O ' ' N ' ' S' ' 101' ' ' GLU . 45.6 t90 -89.66 -56.33 3.29 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.384 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' S' ' 99' ' ' TRP . 1.8 tp -33.39 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.859 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' S' ' 99' ' ' TRP . 7.5 tt0 -82.07 -35.93 28.18 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' S' ' 99' ' ' TRP . 31.6 mt-10 -74.16 -10.97 60.14 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.149 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -108.05 -40.52 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 C-N-CA 119.159 -1.016 . . . . 0.0 113.301 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -81.67 -51.46 8.18 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.654 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.304 -1.405 0 C-N-CA 118.622 -1.231 . . . . 0.0 111.595 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.998 0.428 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -83.43 -67.64 0.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.567 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -26.92 65.41 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -49.53 -48.45 48.22 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.232 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.97 -50.41 10.46 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -51.19 -38.47 52.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' R' ' 24' ' ' ASP . 40.2 t80 -75.09 -71.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.306 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -42.77 -21.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.575 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' R' ' 22' ' ' PHE . 0.5 OUTLIER -68.39 -45.45 72.69 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.816 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.4 -30.17 69.02 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.321 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.54 -52.92 62.11 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.336 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -52.68 -58.4 6.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . 0.492 HD21 ' N ' ' R' ' 28' ' ' ASN . 1.1 m-80 -38.43 -55.23 1.41 Allowed 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.053 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.46 75.73 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.619 ' O ' ' N ' ' R' ' 32' ' ' ASN . 1.5 m-85 -45.69 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.04 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' R' ' 30' ' ' TYR . 4.3 tt0 5.1 -69.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 127.149 2.781 . . . . 0.0 111.294 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.7 m-20 -81.92 -96.83 0.04 OUTLIER 'General case' 0 C--N 1.274 -2.696 0 C-N-CA 117.917 -1.513 . . . . 0.0 107.72 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.34 26.58 0.52 Allowed 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 8.14 31.46 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.515 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 15.8 p-80 -70.03 -43.72 70.73 Favored 'General case' 0 C--N 1.292 -1.899 0 C-N-CA 117.731 -1.588 . . . . 0.0 112.036 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.46 -57.59 1.83 Allowed Pre-proline 0 N--CA 1.502 2.145 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.59 -73.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 120.612 0.875 . . . . 0.0 113.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' R' ' 39' ' ' LEU . 0.3 OUTLIER -59.21 -36.54 75.57 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.102 -1.439 . . . . 0.0 109.869 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.452 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 57.1 tp -57.5 -36.22 71.23 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.86 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.478 HD21 ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -63.15 -34.3 77.33 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.866 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -33.24 9.56 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.617 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.86 28.85 0.57 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.478 ' CD1' HD21 ' R' ' 40' ' ' ASN . 1.2 mt -67.87 -0.76 4.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.509 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.94 148.78 2.69 Favored Pre-proline 0 C--N 1.301 -1.512 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' R' ' 47' ' ' GLU . 6.0 Cg_exo -55.82 -44.78 44.3 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 120.726 0.95 . . . . 0.0 111.342 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.35 3.57 0.64 Allowed 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.17 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' R' ' 45' ' ' PRO . 9.3 mm-40 -114.79 -48.56 2.84 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' R' ' 50' ' ' ALA . 59.7 ttt180 -70.7 -51.92 24.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.063 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' R' ' 53' ' ' THR . 0.5 OUTLIER -63.46 -7.42 6.72 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.042 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' R' ' 48' ' ' ARG . . . -103.51 -28.4 11.78 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.444 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.26 -53.1 54.43 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.978 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.96 -38.87 90.67 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.33 -1.414 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 53' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.3 OUTLIER -63.96 -33.79 76.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.005 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.7 -22.97 61.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.61 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.44 -27.23 7.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' R' ' 57' ' ' ILE . 4.8 mtm180 -63.49 -56.6 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.556 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -41.78 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.236 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' R' ' 57' ' ' ILE . 73.3 t -34.7 -63.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.33 -44.14 23.43 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.829 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.05 -55.42 10.84 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.485 1.319 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.932 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo . . . . . 0 C--O 1.213 -0.761 0 N-CA-C 111.325 -0.298 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -13.59 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.03 -8.54 58.66 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -96.4 -41.24 8.71 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mtp-105 -52.8 -21.07 3.73 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -59.92 -66.1 0.57 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . 0.457 ' O ' ' N ' ' R' ' 102' ' ' GLU . 27.5 t90 -72.06 -58.33 3.53 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.55 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -38.61 -31.71 0.06 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.38 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.79 -34.65 74.01 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.663 -1.215 . . . . 0.0 110.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 99' ' ' TRP . 33.2 mt-10 -79.25 -19.13 51.39 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.66 -26.58 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 119.085 -1.046 . . . . 0.0 113.365 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.8 -32.23 9.43 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.87 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 118.651 -1.22 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -120.28 -37.26 3.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.99 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' S' ' 20' ' ' LEU . 8.1 pt-20 -102.32 -28.54 12.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.13 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -45.1 -16.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.257 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' S' ' 18' ' ' GLU . 24.7 mt -114.11 -57.22 2.3 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.566 -0.853 . . . . 0.0 112.237 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -31.54 8.46 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' S' ' 25' ' ' LEU . 1.3 m-85 -93.97 -53.75 3.86 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.62 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -46.23 -31.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.08 -38.38 82.72 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.266 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' S' ' 22' ' ' PHE . 68.0 mt -69.87 -33.48 72.3 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.06 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.52 -34.64 67.22 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.333 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -22.89 59.89 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.95 -49.9 40.49 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.3 98.67 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.173 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.725 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.5 OUTLIER -44.22 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.474 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.507 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.3 tp60 -15.12 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 125.085 1.49 . . . . 0.0 113.296 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' S' ' 34' ' ' LEU . 3.7 m-80 -78.04 35.1 0.2 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.725 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 32.35 28.6 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.132 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.0 OUTLIER -93.66 16.88 12.81 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.393 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.446 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 31.1 p-80 -89.55 -27.15 20.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.956 -1.097 . . . . 0.0 112.348 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -44.51 -50.96 22.05 Favored Pre-proline 0 N--CA 1.491 1.599 0 C-N-CA 118.502 -1.279 . . . . 0.0 112.754 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -57.03 -65.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 120.074 0.516 . . . . 0.0 111.566 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.3 OUTLIER -53.44 -34.87 59.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.087 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -55.39 -61.0 2.63 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.57 -39.31 0.71 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.688 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -43.49 -67.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.92 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 8.3 ttt -91.93 46.25 1.26 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.825 -1.15 . . . . 0.0 113.298 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.8 OUTLIER -60.33 -57.32 13.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.312 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.1 OUTLIER 51.69 154.62 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.068 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -67.44 -35.97 21.7 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.325 1.35 . . . . 0.0 111.251 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.33 -71.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.879 -0.729 . . . . 0.0 111.48 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -40.88 -41.68 1.65 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.243 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' S' ' 50' ' ' ALA . 21.2 ttt180 -64.98 -60.98 2.44 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.24 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -70.64 5.43 1.88 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' S' ' 48' ' ' ARG . . . -109.92 -42.96 4.09 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.768 -0.773 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' S' ' 50' ' ' ALA . 6.3 tt -42.69 -50.6 5.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -55.67 -56.95 21.14 Favored Glycine 0 N--CA 1.483 1.8 0 C-N-CA 119.274 -1.441 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 53' ' ' THR . . . . . 0.477 ' C ' ' O ' ' S' ' 52' ' ' GLY . 2.1 m -36.53 -30.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.057 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' S' ' 52' ' ' GLY . 2.3 mtp85 -82.61 -42.79 17.78 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.568 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' S' ' 52' ' ' GLY . 4.7 p -51.36 -17.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 118.128 -1.429 . . . . 0.0 110.124 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.6 OUTLIER -65.26 -60.66 2.75 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.237 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.412 HG13 ' H ' ' S' ' 58' ' ' VAL . 0.5 OUTLIER -49.96 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 118.771 -1.171 . . . . 0.0 111.571 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.412 ' H ' HG13 ' S' ' 57' ' ' ILE . 67.9 t -36.72 -52.85 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.235 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' S' ' 60' ' ' GLU . 3.9 tm-20 -58.4 -60.1 4.31 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' S' ' 60' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.382 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -86.23 -23.89 26.25 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.335 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -43.28 59.23 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.489 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -30.11 33.33 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -47.19 -63.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.431 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' S' ' 100' ' ' LEU . 48.9 t90 -82.36 -57.43 3.37 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.132 -1.027 . . . . 0.0 112.592 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' S' ' 99' ' ' TRP . 1.8 tp -31.64 -53.08 0.24 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.103 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.78 -40.05 69.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.456 -0.898 . . . . 0.0 112.135 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' S' ' 99' ' ' TRP . 23.0 mt-10 -65.08 -35.9 82.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.1 p -102.4 -30.42 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -65.62 0.99 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.834 -1.147 . . . . 0.0 111.932 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 119.246 -0.981 . . . . 0.0 111.183 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.47 -10.52 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.176 -1.009 . . . . 0.0 110.675 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.2 OUTLIER -104.24 -36.24 7.71 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.467 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 25.6 t-105 -47.29 -12.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.286 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' R' ' 18' ' ' GLU . 15.9 mt -113.51 -58.96 2.08 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.705 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -49.67 -53.32 25.15 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.68 -52.79 33.81 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -51.59 -22.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 C-N-CA 118.367 -1.333 . . . . 0.0 110.709 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -25.02 55.41 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.731 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.93 -21.71 37.13 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.168 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.05 39.79 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.322 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . 0.545 ' CB ' ' HZ1' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -61.19 -29.93 70.11 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.087 -1.045 . . . . 0.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -56.49 -59.51 4.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.651 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -49.45 -52.24 30.37 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 118.365 -1.334 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -45.38 -68.73 0.17 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.325 -1.35 . . . . 0.0 109.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' R' ' 30' ' ' TYR . 13.1 tt0 7.57 -69.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 126.898 2.624 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.663 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.9 OUTLIER -91.2 -93.35 0.14 Allowed 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 117.871 -1.531 . . . . 0.0 107.018 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 91.4 m-20 -148.88 26.65 0.9 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.12 4.68 41.26 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.198 -1.801 . . . . 0.0 114.428 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.753 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 2.4 p-80 -67.18 -54.3 22.42 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 117.21 -1.796 . . . . 0.0 111.841 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.457 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.5 mm? -27.87 -62.04 0.19 Allowed Pre-proline 0 N--CA 1.502 2.171 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.7 Cg_endo -52.61 -85.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.981 0 C-N-CA 120.646 0.897 . . . . 0.0 113.152 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.4 pp -52.42 -39.2 60.69 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.309 -1.356 . . . . 0.0 111.173 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 29.3 tp -41.11 -42.06 1.91 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.652 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.6 OUTLIER -66.08 -44.09 85.46 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.552 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' R' ' 38' ' ' LEU . 6.8 tp -60.93 -0.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 42' ' ' MET . . . . . 0.495 ' H ' ' C ' ' R' ' 40' ' ' ASN . 18.9 ttt -105.55 -44.95 4.56 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.771 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' R' ' 44' ' ' THR . 7.1 mt -100.1 -28.38 13.07 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.737 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.441 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER 53.18 178.46 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.603 0 C-N-CA 118.48 -1.288 . . . . 0.0 108.195 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -66.22 -51.33 1.15 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.014 1.142 . . . . 0.0 113.415 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -42.37 -59.55 1.8 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.562 -0.855 . . . . 0.0 112.23 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -78.37 -19.44 53.38 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.355 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . 0.407 ' C ' ' H ' ' R' ' 50' ' ' ALA . 10.7 ttt180 -53.01 -49.53 66.04 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -14.89 1.96 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.385 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' R' ' 51' ' ' LEU . . . -85.53 -39.93 16.88 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' R' ' 50' ' ' ALA . 3.7 tt -45.78 -53.55 9.39 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.33 -57.73 6.25 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 12.9 m -58.26 -16.43 13.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . 0.457 ' NH2' ' OG1' ' S' ' 44' ' ' THR . 0.0 OUTLIER -84.76 -63.18 1.38 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.507 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . 0.403 ' CG2' ' CD2' ' S' ' 22' ' ' PHE . 1.5 p -45.27 -25.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.5 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' R' ' 54' ' ' ARG . 16.5 ttm180 -60.9 -60.22 4.13 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.054 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.538 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 0.9 OUTLIER -44.55 -57.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.757 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.538 ' N ' ' CG1' ' R' ' 57' ' ' ILE . 76.5 t -48.93 -60.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.373 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.12 -42.09 6.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -45.68 25.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.964 -1.095 . . . . 0.0 111.582 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.304 -1.408 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.288 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 C--O 1.216 -0.592 0 N-CA-C 109.99 -0.812 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' R' ' 96' ' ' LEU . 0.0 OUTLIER -52.15 -19.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.95 1.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' R' ' 94' ' ' VAL . 20.7 tp -94.42 -45.01 7.63 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.355 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -49.71 -21.87 1.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.803 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' R' ' 96' ' ' LEU . 18.2 mm-40 -52.99 -65.31 0.58 Allowed 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' R' ' 102' ' ' GLU . 40.3 t90 -77.54 -56.53 4.45 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 118.57 -1.252 . . . . 0.0 110.669 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 tp -35.61 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.624 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' R' ' 99' ' ' TRP . 2.9 tt0 -78.13 -37.78 45.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.339 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.3 mt-10 -74.63 -10.61 59.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.65 -34.04 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 118.999 -1.08 . . . . 0.0 113.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.23 -65.54 0.96 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--N 1.301 -1.529 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.54 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.3 p-80 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.137 0.494 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -80.6 -65.86 0.96 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.629 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -63.6 -14.64 53.54 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.931 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -56.23 -16.43 5.36 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.51 -51.36 2.88 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.633 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -49.35 -50.33 40.34 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' S' ' 25' ' ' LEU . 34.4 t80 -75.59 -53.33 8.78 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 118.292 -1.363 . . . . 0.0 113.805 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' S' ' 22' ' ' PHE . 14.7 m -44.85 -27.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 118.284 -1.366 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.1 OUTLIER -60.15 -43.06 96.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' S' ' 22' ' ' PHE . 70.8 mt -61.96 -33.1 73.68 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.389 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -47.26 -34.75 6.91 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 118.503 -1.279 . . . . 0.0 109.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -70.81 -46.86 62.04 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.454 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . 0.618 HD21 ' H ' ' S' ' 28' ' ' ASN . 1.9 m-80 -47.35 -42.91 22.46 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.39 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.83 -45.21 29.38 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.748 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.6 OUTLIER -48.11 -81.94 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.601 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.58 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -15.78 -67.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 125.066 1.479 . . . . 0.0 112.923 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 9.1 m-20 -74.95 35.3 0.1 Allowed 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.002 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.748 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 30.79 28.66 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 O-C-N 124.268 0.98 . . . . 0.0 111.913 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 3.6 mt -92.16 14.78 15.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.831 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.562 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 21.0 p-80 -81.54 -29.98 33.31 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.143 -1.423 . . . . 0.0 110.738 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -37.96 -55.06 2.33 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.59 -66.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 CA-C-N 119.09 0.711 . . . . 0.0 111.203 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.3 OUTLIER -50.61 -31.16 15.18 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.095 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -53.08 -56.99 11.95 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.754 -1.178 . . . . 0.0 108.506 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -31.37 35.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 26.8 tp -55.98 -28.29 56.46 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 42' ' ' MET . . . . . 0.535 ' C ' ' H ' ' S' ' 44' ' ' THR . 1.3 mpp? -106.59 10.92 31.01 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.719 -0.792 . . . . 0.0 112.5 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.96 -1.11 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.535 ' H ' ' C ' ' S' ' 42' ' ' MET . 0.0 OUTLIER -43.67 159.97 0.22 Allowed Pre-proline 0 C--N 1.302 -1.47 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.207 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.23 -24.31 15.03 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.361 1.374 . . . . 0.0 111.508 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.67 -41.16 96.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -44.86 10.04 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.73 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -46.01 -57.24 4.59 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -61.29 -15.29 33.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.228 -0.989 . . . . 0.0 110.76 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 -5.73 33.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.034 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -81.27 -82.05 0.13 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.526 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.54 -34.28 4.94 Favored Glycine 0 N--CA 1.482 1.718 0 C-N-CA 119.472 -1.347 . . . . 0.0 109.94 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -65.36 -54.75 24.35 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.847 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -45.52 -29.03 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.48 -37.0 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.998 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . 0.493 ' NH1' ' OE1' ' S' ' 59' ' ' GLU . 0.1 OUTLIER -63.66 -60.93 2.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -41.29 -77.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.398 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' S' ' 57' ' ' ILE . 72.1 t -35.65 -52.23 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.846 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . 0.493 ' OE1' ' NH1' ' S' ' 56' ' ' ARG . 20.0 tt0 -55.78 -74.01 0.05 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.872 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.49 1.547 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.752 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -78.72 -9.8 59.55 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' S' ' 98' ' ' GLN . 1.2 tt -93.84 -44.76 7.96 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.311 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -54.29 -15.59 1.68 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.663 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' S' ' 96' ' ' LEU . 41.4 mm-40 -51.75 -59.43 4.3 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -85.96 -49.27 7.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.056 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -43.5 -40.88 4.11 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.736 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.15 -24.64 27.42 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.39 -7.67 22.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 0.3 OUTLIER -97.75 -40.39 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . 0.43 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 2.9 tp -106.3 -27.02 11.26 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.41 -0.916 . . . . 0.0 112.356 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 110.521 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.589 0.233 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.6 mt-30 -83.89 -82.22 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' R' ' 20' ' ' LEU . 7.5 mt-10 -42.01 -27.12 0.11 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' R' ' 17' ' ' GLN . 68.4 t-105 -48.61 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.664 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' R' ' 18' ' ' GLU . 16.1 mt -118.17 -70.56 0.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.565 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -44.82 7.5 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 48.2 m-85 -87.07 -47.68 8.71 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 118.359 -1.337 . . . . 0.0 112.404 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -50.18 -21.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 C-N-CA 118.228 -1.389 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 86.8 m-20 -74.29 -38.65 63.32 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.242 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.42 -31.93 73.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.83 -45.86 92.8 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' ND2' ' R' ' 28' ' ' ASN . 0.3 OUTLIER -64.35 -20.52 66.16 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.45 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . 0.422 ' ND2' ' NZ ' ' R' ' 27' ' ' LYS . 0.8 OUTLIER -70.8 -53.49 15.16 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.298 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.84 70.51 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.279 -1.368 . . . . 0.0 108.767 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -58.96 -69.5 0.19 Allowed 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 118.218 -1.393 . . . . 0.0 109.83 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.2 OUTLIER 7.51 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 126.794 2.559 . . . . 0.0 111.09 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.691 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.9 t-20 -93.05 -92.76 0.16 Allowed 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . 0.433 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 42.1 m-20 -152.74 23.71 0.59 Allowed 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.49 14.84 2.81 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 117.916 -1.514 . . . . 0.0 114.1 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -88.18 -42.7 12.15 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.3 -1.36 . . . . 0.0 109.967 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' R' ' 35' ' ' HIS . 2.0 mm? -27.56 -59.69 0.21 Allowed Pre-proline 0 N--CA 1.5 2.059 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.39 -76.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 120.427 0.751 . . . . 0.0 112.584 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.736 -1.185 . . . . 0.0 110.316 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' R' ' 39' ' ' LEU . 2.2 tm? -46.79 -63.22 1.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.409 -1.316 . . . . 0.0 107.968 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -46.1 -36.68 6.04 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.705 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.56 -18.46 2.87 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.47 25.65 10.13 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.591 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.04 13.42 2.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -43.3 150.26 0.51 Allowed Pre-proline 0 N--CA 1.491 1.604 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -48.13 -30.78 15.09 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.05 1.167 . . . . 0.0 111.876 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -56.58 19.38 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.814 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.02 -45.79 66.47 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -39.81 -57.54 1.54 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.706 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' R' ' 51' ' ' LEU . 97.3 mt-10 -59.56 -61.19 2.8 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.516 -0.874 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.83 -11.14 0.05 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.353 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' R' ' 49' ' ' GLU . 0.1 OUTLIER -78.76 -70.52 0.49 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.055 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.79 -26.63 11.15 Favored Glycine 0 N--CA 1.483 1.805 0 C-N-CA 119.259 -1.448 . . . . 0.0 110.565 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 53' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' R' ' 53' ' ' THR . 0.0 OUTLIER -70.06 -50.37 41.76 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.788 -1.165 . . . . 0.0 110.011 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.21 -33.29 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -68.26 0.18 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.25 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' R' ' 57' ' ' ILE . 61.6 t -34.16 -56.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.425 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' R' ' 60' ' ' GLU . 73.3 mm-40 -65.01 -67.2 0.46 Allowed 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.5 mm-40 -33.57 -42.11 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.485 1.293 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.534 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo . . . . . 0 C--O 1.214 -0.706 0 N-CA-C 110.058 -0.785 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -14.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.99 -23.65 62.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.033 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.48 ' C ' ' N ' ' R' ' 98' ' ' GLN . 23.1 tp -82.73 -45.38 14.48 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.642 -0.823 . . . . 0.0 109.839 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -49.93 -18.52 0.53 Allowed 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.135 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.48 ' N ' ' C ' ' R' ' 96' ' ' LEU . 89.6 mt-30 -52.29 -53.4 44.51 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.547 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -95.43 -55.08 3.16 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.771 -1.172 . . . . 0.0 111.52 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tp -45.79 -44.67 14.22 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.43 -2.58 3.37 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.706 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.6 -22.63 11.87 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.82 -34.44 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.493 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -44.99 15.23 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.331 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.751 0.31 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.02 -45.7 10.51 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.915 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' S' ' 20' ' ' LEU . 8.7 pt-20 -66.4 -36.66 83.38 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.349 -0.94 . . . . 0.0 112.009 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' S' ' 19' ' ' TRP . 25.3 t-105 -58.88 -3.33 0.32 Allowed 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.533 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' S' ' 18' ' ' GLU . 20.6 mt -114.26 -40.67 3.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.147 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.79 95.67 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.285 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -72.62 -61.64 1.73 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.623 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -42.3 -42.76 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 119.4 -0.92 . . . . 0.0 111.819 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 0.7 OUTLIER -51.72 -37.18 49.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.71 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -80.37 -24.62 39.65 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.713 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -72.89 -43.08 62.9 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -50.66 -49.36 57.33 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.59 87.25 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -44.94 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.191 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' S' ' 30' ' ' TYR . 13.0 tt0 -9.5 -69.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.038 1.461 . . . . 0.0 113.668 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' S' ' 34' ' ' LEU . 19.0 m-20 -84.17 38.69 0.67 Allowed 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.1 t70 32.91 28.61 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.365 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.7 OUTLIER -88.87 15.7 8.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.452 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 46.8 p-80 -99.33 -6.87 27.14 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 2.1 mt -54.17 -47.78 96.26 Favored Pre-proline 0 C--N 1.3 -1.584 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' S' ' 40' ' ' ASN . 1.8 Cg_endo -66.71 -61.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 120.318 0.679 . . . . 0.0 111.228 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.453 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.6 -38.84 56.4 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.521 -1.271 . . . . 0.0 108.42 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 23.1 tp -58.95 -31.08 68.39 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.129 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.0 OUTLIER -81.79 -8.62 59.71 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.929 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.15 89.38 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.589 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 2.4 tpt -105.91 39.23 1.82 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' S' ' 43' ' ' LEU . 0.3 OUTLIER -67.82 -0.36 4.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.129 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.476 ' C ' ' H ' ' S' ' 46' ' ' ASP . 0.7 OUTLIER -36.94 155.38 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.611 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -50.43 -12.87 0.58 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 120.899 1.066 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' S' ' 44' ' ' THR . 0.1 OUTLIER -66.78 -65.41 0.68 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.038 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.86 -40.05 72.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.845 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' S' ' 50' ' ' ALA . 8.3 ttt180 -56.9 -48.04 79.14 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' S' ' 53' ' ' THR . 11.7 mt-10 -61.43 -4.01 1.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.749 -0.781 . . . . 0.0 111.268 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -114.16 -40.96 3.58 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 1.2 tm? -47.73 -76.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.403 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.99 -41.21 44.91 Favored Glycine 0 N--CA 1.482 1.742 0 C-N-CA 119.252 -1.452 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 53' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -69.94 -19.33 63.38 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.68 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' S' ' 50' ' ' ALA . 28.3 ttm180 -79.0 -30.35 44.23 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.171 -1.011 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -83.35 -28.13 7.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.34 -61.8 2.36 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.341 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.489 HG13 ' H ' ' S' ' 58' ' ' VAL . 0.5 OUTLIER -38.95 -72.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.025 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.489 ' H ' HG13 ' S' ' 57' ' ' ILE . 60.4 t -37.7 -64.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.93 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.76 10.81 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 . . . . . 0 N--CA 1.496 1.837 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.681 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.958 0.408 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.89 -17.1 17.77 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.84 -39.16 20.27 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.741 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -54.19 -31.74 53.75 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.32 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -66.19 0.37 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.696 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -86.48 -54.69 4.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 118.736 -1.186 . . . . 0.0 113.368 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 tp -36.19 -58.82 0.66 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -49.62 -26.73 3.86 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.525 -1.27 . . . . 0.0 111.785 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -83.36 -28.33 29.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.987 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 1.1 p -91.5 -35.94 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.386 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 0.1 OUTLIER -83.87 -49.71 8.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.748 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.489 1.497 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.325 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -84.12 -74.2 0.39 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.281 -0.967 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' R' ' 20' ' ' LEU . 2.2 mt-10 -51.1 -32.95 24.09 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.657 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 49.1 t-105 -57.61 -1.34 0.09 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' R' ' 18' ' ' GLU . 81.7 mt -119.99 -64.82 1.22 Allowed 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.925 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -59.67 -29.73 68.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -89.29 -50.37 6.17 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.509 -1.276 . . . . 0.0 112.143 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.37 -30.86 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 117.717 -1.593 . . . . 0.0 108.736 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.32 -49.44 67.04 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 118.766 -1.173 . . . . 0.0 109.241 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' R' ' 25' ' ' LEU . 8.2 mp -61.51 -31.82 71.84 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -53.27 -55.67 22.74 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.217 -1.393 . . . . 0.0 109.457 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -59.82 -29.81 68.51 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.033 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -60.93 -43.55 98.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.425 -1.31 . . . . 0.0 109.418 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -53.9 52.63 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' R' ' 32' ' ' ASN . 11.7 m-85 -45.01 -71.4 0.08 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.583 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' R' ' 30' ' ' TYR . 2.1 tp60 8.69 -69.15 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.872 2.608 . . . . 0.0 110.968 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.674 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.8 OUTLIER -91.63 -90.02 0.17 Allowed 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.43 21.47 0.55 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 4.0 mm? -81.99 12.09 4.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 117.123 -1.831 . . . . 0.0 113.167 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.819 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 2.2 p-80 -77.24 -52.23 9.57 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 117.154 -1.818 . . . . 0.0 110.418 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.522 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 3.8 mt -32.12 -57.46 0.44 Allowed Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.85 -72.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 119.224 0.759 . . . . 0.0 112.094 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -39.83 59.47 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.556 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.9 tp -60.37 -41.46 93.77 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.61 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -23.69 67.38 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.45 19.47 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 118.431 -1.307 . . . . 0.0 109.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 5.0 ttp -106.28 55.75 0.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -86.79 9.6 18.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.464 ' C ' ' O ' ' R' ' 43' ' ' LEU . 77.8 p -34.01 147.14 0.12 Allowed Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.564 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.05 -31.7 36.07 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.406 1.404 . . . . 0.0 111.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -38.41 76.95 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.196 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.17 -56.31 4.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' R' ' 50' ' ' ALA . 13.5 ttp180 -50.27 -52.25 37.89 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.457 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -50.25 -16.45 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' R' ' 48' ' ' ARG . . . -97.35 -46.62 6.02 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.508 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tt -46.5 -60.77 2.15 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.099 -1.04 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.41 -58.03 4.14 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 53' ' ' THR . . . . . 0.555 ' O ' ' N ' ' R' ' 55' ' ' VAL . 53.2 m -56.58 -68.72 0.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.811 -0.756 . . . . 0.0 112.23 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -40.0 -19.28 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.441 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' R' ' 53' ' ' THR . 2.3 t -96.53 -38.07 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 119.716 -0.794 . . . . 0.0 112.602 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' R' ' 57' ' ' ILE . 38.4 mtt85 -64.19 -52.2 60.07 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.141 -1.023 . . . . 0.0 112.519 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.97 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' R' ' 57' ' ' ILE . 17.0 t -34.33 -52.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 124.194 0.934 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.0 -76.8 0.05 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.336 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -51.38 -11.58 0.12 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.269 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' R' ' 57' ' ' ILE . 12.6 mt . . . . . 0 C--N 1.303 -1.437 0 C-N-CA 118.572 -1.251 . . . . 0.0 111.566 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 C--O 1.216 -0.619 0 N-CA-C 110.857 -0.478 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.34 -19.28 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.64 -16.39 24.36 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.649 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' R' ' 98' ' ' GLN . 30.1 tp -87.14 -43.26 12.39 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -20.4 1.36 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' R' ' 96' ' ' LEU . 27.6 mt-30 -51.75 -61.66 2.12 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.523 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -88.21 -50.95 6.04 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 118.613 -1.235 . . . . 0.0 112.213 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' R' ' 102' ' ' GLU . 2.1 tp -41.72 -38.59 1.48 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.56 -3.94 1.71 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' R' ' 100' ' ' LEU . 21.7 mt-10 -113.1 -28.33 7.7 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.352 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -85.04 -28.01 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.964 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.68 -11.8 10.95 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.622 -0.831 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.008 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.009 0.433 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.66 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' S' ' 20' ' ' LEU . 0.9 OUTLIER -44.5 -64.76 0.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.536 0.684 . . . . 0.0 111.851 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -42.67 -12.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' S' ' 18' ' ' GLU . 78.9 mt -116.81 -67.66 0.98 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.792 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -45.8 -47.1 15.77 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.481 ' C ' ' N ' ' S' ' 24' ' ' ASP . 32.4 m-85 -83.38 -49.17 9.6 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.141 -1.424 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.82 -16.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.2 OUTLIER -71.94 -40.82 68.45 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.628 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.54 -27.51 66.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.209 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -35.56 64.91 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.121 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -47.93 58.31 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.863 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.17 -47.44 9.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.74 -46.01 73.34 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.667 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.741 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.7 m-85 -51.69 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.563 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.7 tt0 -16.65 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.315 1.635 . . . . 0.0 112.899 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.609 ' O ' ' N ' ' S' ' 34' ' ' LEU . 25.0 m120 -74.5 32.47 0.09 Allowed 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.741 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.9 OUTLIER 32.1 27.19 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.049 0.843 . . . . 0.0 111.695 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.1 mp -97.14 16.18 20.46 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.002 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.741 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 6.5 p-80 -91.24 -7.04 52.37 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -52.94 24.78 Favored Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.276 -1.37 . . . . 0.0 111.979 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -60.58 -69.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.946 0 N-CA-C 110.023 -0.799 . . . . 0.0 110.023 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.23 -56.72 2.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.946 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -43.76 -47.74 7.99 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.55 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -14.23 59.4 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 55.0 tp -42.87 -56.2 3.36 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.753 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 3.4 tpt -152.76 64.99 0.79 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.604 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.8 pp -67.71 -9.1 40.74 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.175 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.428 ' O ' ' O ' ' S' ' 43' ' ' LEU . 2.2 m 59.06 133.39 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.467 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' S' ' 46' ' ' ASP . 2.2 Cg_endo -58.2 -52.25 6.1 Favored 'Trans proline' 0 C--O 1.217 -0.529 0 C-N-CA 120.523 0.816 . . . . 0.0 111.3 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' S' ' 45' ' ' PRO . 0.0 OUTLIER -40.49 -42.65 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.206 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' S' ' 51' ' ' LEU . 6.2 tp10 -69.05 -46.97 66.52 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.855 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -37.55 -46.98 0.89 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.41 -53.55 13.69 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.36 16.5 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -68.31 -68.51 0.39 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.09 -50.56 33.18 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 118.932 -1.604 . . . . 0.0 109.539 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -38.05 58.46 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.858 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . 0.441 ' C ' ' CD ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.59 -54.92 32.39 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.209 -0.997 . . . . 0.0 111.164 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -50.41 -29.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.257 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -59.24 -54.53 45.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.784 -1.166 . . . . 0.0 111.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.51 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.1 pt -45.86 -46.32 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 118.599 -1.24 . . . . 0.0 110.582 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.51 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 21.4 t -50.79 -59.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -53.12 -55.44 24.04 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.488 1.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.088 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' S' ' 96' ' ' LEU . 2.4 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.301 0.572 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -0.43 6.22 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.157 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' S' ' 94' ' ' VAL . 1.7 tm? -77.37 -57.06 4.03 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -48.63 -35.85 14.59 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.171 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.61 -70.24 0.15 Allowed 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.985 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' S' ' 101' ' ' GLU . 26.8 t90 -50.13 -68.02 0.21 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 117.572 -1.651 . . . . 0.0 110.106 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' S' ' 99' ' ' TRP . 4.2 tp -28.43 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.915 -1.039 . . . . 0.0 112.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.9 tt0 -70.3 -57.77 4.5 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -50.08 -26.74 4.72 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.68 -34.09 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 118.535 -1.266 . . . . 0.0 113.304 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.84 -36.12 16.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.561 -1.256 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 C-N-CA 118.42 -1.312 . . . . 0.0 110.26 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' R' ' 16' ' ' HIS . 1.9 t60 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 120.943 0.401 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.73 10.78 37.74 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.762 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -130.42 -68.26 0.7 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.403 ' CZ3' ' HG ' ' S' ' 51' ' ' LEU . 69.0 t-105 -41.43 -30.89 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.01 -57.47 2.02 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.997 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -52.08 -29.29 20.82 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.08 -57.66 3.0 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 117.742 -1.583 . . . . 0.0 112.904 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.58 -27.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 C-N-CA 117.832 -1.547 . . . . 0.0 109.971 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -36.26 77.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.128 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.34 -45.53 59.48 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.065 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tp -44.69 -47.92 10.63 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.268 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.65 72.94 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.168 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -47.25 85.87 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.49 -50.96 56.6 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 118.419 -1.313 . . . . 0.0 110.189 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -43.98 -53.48 6.19 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.121 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' R' ' 30' ' ' TYR . 66.3 tt0 -3.83 -66.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 111.681 -2.509 . . . . 0.0 111.023 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 3.0 t-20 -101.46 -92.37 0.31 Allowed 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 116.936 -1.905 . . . . 0.0 108.505 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 12.8 m-20 -132.31 15.42 4.57 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 0.2 OUTLIER -81.88 4.45 22.36 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.805 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 0.0 OUTLIER -69.69 -55.07 10.98 Favored 'General case' 0 C--N 1.287 -2.15 0 C-N-CA 117.048 -1.861 . . . . 0.0 109.924 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.514 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.1 tp -38.56 -56.72 2.15 Favored Pre-proline 0 N--CA 1.505 2.281 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.73 -59.91 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 CA-C-N 120.101 1.072 . . . . 0.0 111.699 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.1 OUTLIER -76.45 -49.32 16.93 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.516 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' R' ' 35' ' ' HIS . 30.1 tp -43.67 -36.97 2.39 Favored 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.801 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' R' ' 41' ' ' LEU . 20.3 t-20 -74.14 -29.21 61.69 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.439 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' R' ' 40' ' ' ASN . 0.1 OUTLIER -39.03 -37.36 0.36 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.551 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -116.26 62.36 0.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -85.32 -5.88 59.28 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.377 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -34.94 161.32 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.786 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.65 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.21 -18.61 18.57 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.259 1.306 . . . . 0.0 111.681 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -68.9 -37.53 79.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.925 -1.11 . . . . 0.0 111.333 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.8 -44.67 12.28 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.664 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -51.7 -43.37 62.75 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.059 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -72.7 -35.13 67.56 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.51 48.4 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.389 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.14 -57.76 3.57 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 118.643 -1.223 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.26 -48.49 32.98 Favored Glycine 0 N--CA 1.484 1.886 0 C-N-CA 119.237 -1.458 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -64.76 -44.42 90.14 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.677 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -65.01 -16.1 63.06 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.511 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.58 -33.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 121.832 0.825 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -61.52 -59.28 5.47 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.548 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' R' ' 61' ' ' LEU . 0.4 OUTLIER -46.88 -68.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.117 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -36.86 -59.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 119.443 -0.903 . . . . 0.0 112.734 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -62.69 -34.74 77.76 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.643 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -89.74 -11.18 43.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.411 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' R' ' 61' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.307 -1.279 0 C-N-CA 118.108 -1.437 . . . . 0.0 110.2 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' R' ' 95' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.213 -0.759 0 N-CA-C 110.437 -0.64 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.16 -7.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' R' ' 93' ' ' PRO . 65.8 mt-10 -84.09 -27.91 27.91 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.965 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -44.59 62.89 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.279 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -50.96 -24.53 3.73 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.776 -0.769 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.75 -65.63 0.64 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.019 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . 0.448 ' HE1' ' CB ' ' S' ' 32' ' ' ASN . 35.2 t90 -65.17 -56.17 14.41 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.078 -1.449 . . . . 0.0 111.239 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.36 -44.2 1.29 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.317 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.97 -33.76 76.07 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 118.296 -1.361 . . . . 0.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.51 -41.37 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.424 -0.91 . . . . 0.0 113.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.78 -41.99 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.23 -48.7 13.72 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 117.977 -1.489 . . . . 0.0 112.551 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.494 1.774 0 C-N-CA 119.904 -0.718 . . . . 0.0 112.869 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -94.85 -28.01 15.44 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.6 mt-10 -99.21 -44.97 6.05 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.938 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . 0.411 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 61.2 t-105 -44.92 -15.91 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.786 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' S' ' 22' ' ' PHE . 19.5 mt -114.08 -70.29 0.81 Allowed 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.578 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' S' ' 20' ' ' LEU . 8.2 ttt180 -34.07 -30.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' S' ' 20' ' ' LEU . 66.5 m-85 -101.19 -44.98 5.51 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.31 -18.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 117.13 -1.828 . . . . 0.0 109.655 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -33.23 73.71 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.62 -36.27 80.5 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.545 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . 0.43 ' CD2' ' HH ' ' R' ' 30' ' ' TYR . 3.2 tp -48.72 -43.88 37.76 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.484 -1.287 . . . . 0.0 109.551 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.54 -44.7 77.01 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . 0.698 ' N ' HD21 ' S' ' 28' ' ' ASN . 1.0 OUTLIER -48.96 -53.96 17.58 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.861 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.36 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.133 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' C ' ' O ' ' S' ' 29' ' ' ALA . 23.7 m-85 -12.93 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.325 -1.35 . . . . 0.0 111.279 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' S' ' 29' ' ' ALA . 31.0 tt0 -69.19 -39.22 78.82 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' S' ' 29' ' ' ALA . 6.7 m-80 -100.77 -19.3 16.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.951 ' O ' ' N ' ' S' ' 35' ' ' HIS . 32.0 t0 -104.37 15.64 27.81 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.694 ' O ' ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER 16.03 29.05 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.569 -179.443 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.951 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.7 OUTLIER 9.85 12.67 0.0 OUTLIER 'General case' 0 C--O 1.182 -2.465 0 C-N-CA 129.884 3.274 . . . . 0.0 116.708 -178.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.694 ' N ' ' O ' ' S' ' 34' ' ' LEU . 1.9 mm? -73.05 -51.54 6.06 Favored Pre-proline 0 C--N 1.283 -2.288 0 C-N-CA 115.493 -2.483 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.9 Cg_exo -59.17 -54.44 2.66 Favored 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 120.939 1.092 . . . . 0.0 114.802 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -79.15 -44.72 21.4 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.329 -1.349 . . . . 0.0 111.801 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 46.3 tp -50.46 -36.0 31.51 Favored 'General case' 0 N--CA 1.516 2.845 0 C-N-CA 116.609 -2.036 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' S' ' 41' ' ' LEU . 0.6 OUTLIER -59.65 -53.1 61.96 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.628 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' S' ' 40' ' ' ASN . 0.2 OUTLIER -29.3 -45.29 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.64 179.779 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 42' ' ' MET . . . . . 0.484 ' C ' ' H ' ' S' ' 44' ' ' THR . 58.9 mmm -82.64 40.91 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.546 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' S' ' 40' ' ' ASN . 1.0 OUTLIER -68.16 11.17 0.17 Allowed 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.153 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.484 ' H ' ' C ' ' S' ' 42' ' ' MET . 20.1 p -52.09 152.49 5.65 Favored Pre-proline 0 N--CA 1.495 1.782 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -58.49 -40.59 73.14 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 121.068 1.179 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.9 80.1 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.674 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.43 -58.39 7.8 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -52.09 -47.82 65.04 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.017 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.81 -22.84 64.56 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.678 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.32 -12.19 24.79 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.023 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 1.9 tm? -81.37 -69.93 0.57 Allowed 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.73 -38.99 10.35 Favored Glycine 0 N--CA 1.483 1.807 0 C-N-CA 119.487 -1.34 . . . . 0.0 110.059 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -66.66 -48.62 68.79 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -50.86 -20.97 1.47 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.35 -32.81 6.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.239 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.44 -27.81 66.51 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.425 -0.91 . . . . 0.0 112.982 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -72.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 49.3 t -48.66 -63.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -46.43 -68.41 0.2 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.419 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 N--CA 1.493 1.686 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.757 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.753 0.311 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.4 4.18 36.62 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.431 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tt -82.82 -56.73 3.65 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -29.76 4.97 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.926 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -55.31 -64.56 0.8 Allowed 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.103 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' S' ' 100' ' ' LEU . 33.6 t90 -63.82 -65.05 0.73 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.552 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.1 tp -26.45 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 114.496 -1.229 . . . . 0.0 113.843 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' S' ' 99' ' ' TRP . 4.0 mt-10 -63.39 -51.4 66.0 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.427 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' S' ' 99' ' ' TRP . 45.2 mt-10 -63.87 -20.2 65.65 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.3 p -96.84 -49.48 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.391 -1.324 . . . . 0.0 112.723 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.39 -69.42 0.65 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.874 -1.131 . . . . 0.0 111.885 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.874 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' R' ' 18' ' ' GLU . 4.0 m-70 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.66 0.267 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -72.61 25.13 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.392 -0.923 . . . . 0.0 111.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' R' ' 16' ' ' HIS . 8.3 pt-20 -166.72 -34.03 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.703 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.419 ' HE1' HD22 ' S' ' 36' ' ' LEU . 71.6 t-105 -52.18 -26.83 12.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.98 -53.92 2.65 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -38.8 -48.73 1.56 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.727 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.94 -49.36 9.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.203 -0.999 . . . . 0.0 112.326 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.19 -30.91 13.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.747 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -29.38 70.0 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.284 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.26 -26.61 58.96 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.58 -69.61 0.11 Allowed 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.914 -1.114 . . . . 0.0 111.265 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -21.72 11.49 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.027 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.54 56.09 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.501 -1.679 . . . . 0.0 108.704 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.41 -49.35 72.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.926 -1.509 . . . . 0.0 109.04 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.8 m-85 -46.73 -54.96 8.61 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 117.855 -1.538 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.5 tt0 -4.19 -56.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 126.852 2.595 . . . . 0.0 112.574 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.9 t-20 -109.02 -93.06 0.42 Allowed 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.316 -1.754 . . . . 0.0 109.035 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -134.21 17.41 3.75 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.15 7.08 33.45 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 116.66 -2.016 . . . . 0.0 115.958 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.608 ' HD1' ' H ' ' R' ' 36' ' ' LEU . 0.0 OUTLIER -69.86 -69.98 0.31 Allowed 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 117.674 -1.61 . . . . 0.0 110.76 179.534 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.608 ' H ' ' HD1' ' R' ' 35' ' ' HIS . 2.8 mm? -28.18 -64.73 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -57.16 -68.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 120.499 0.799 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' R' ' 41' ' ' LEU . 0.4 OUTLIER -58.28 -64.18 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.11 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' R' ' 35' ' ' HIS . 29.4 tp -27.45 -40.27 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 124.419 1.074 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' R' ' 38' ' ' LEU . 1.9 t30 -63.11 -52.2 63.52 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.581 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 38' ' ' LEU . 5.1 tp -55.11 -8.58 0.3 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.32 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 42' ' ' MET . . . . . 0.522 ' O ' ' NE ' ' S' ' 54' ' ' ARG . 3.7 mtt -104.47 -53.78 2.65 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.544 -0.863 . . . . 0.0 111.701 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' R' ' 44' ' ' THR . 8.5 mt -77.69 -55.99 4.89 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.807 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' R' ' 43' ' ' LEU . 0.4 OUTLIER 75.18 152.87 0.14 Allowed Pre-proline 0 N--CA 1.495 1.804 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.669 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' R' ' 48' ' ' ARG . 6.0 Cg_exo -55.14 -55.46 3.15 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.331 1.354 . . . . 0.0 112.49 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' R' ' 45' ' ' PRO . 15.8 t70 -40.04 -33.08 0.2 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.044 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . 0.421 ' OE2' ' OE1' ' S' ' 47' ' ' GLU . 31.8 tt0 -94.68 -24.32 17.2 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.682 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' R' ' 45' ' ' PRO . 44.6 ttt-85 -52.04 -45.3 64.62 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -45.25 -21.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.934 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' R' ' 48' ' ' ARG . . . -91.01 -46.24 8.26 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 50' ' ' ALA . 4.9 tt -43.08 -49.04 6.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.484 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.69 -56.76 14.36 Favored Glycine 0 N--CA 1.486 1.986 0 C-N-CA 119.117 -1.516 . . . . 0.0 109.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -43.61 -37.02 2.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.83 -39.9 91.28 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.184 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' R' ' 59' ' ' GLU . 0.3 OUTLIER -62.56 -22.35 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.099 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -62.64 -64.12 1.02 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.441 HG21 ' H ' ' R' ' 58' ' ' VAL . 0.8 OUTLIER -50.81 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.594 -1.242 . . . . 0.0 112.444 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.441 ' H ' HG21 ' R' ' 57' ' ' ILE . 0.4 OUTLIER -40.48 -47.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.607 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' R' ' 61' ' ' LEU . 5.3 mm-40 -63.1 -64.4 0.92 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.593 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.4 tp10 -35.62 -32.49 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.319 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' R' ' 59' ' ' GLU . 83.4 mt . . . . . 0 C--N 1.304 -1.398 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.171 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.215 -0.645 0 N-CA-C 110.311 -0.688 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.98 -12.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.339 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.48 -10.47 46.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -93.04 -43.62 8.8 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.101 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -51.47 -17.52 0.82 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.562 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' R' ' 96' ' ' LEU . 10.7 mm100 -54.88 -59.62 4.48 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -86.99 -55.65 3.73 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.612 -1.235 . . . . 0.0 111.846 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 12.6 tp -40.66 -31.62 0.17 Allowed 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.54 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.33 -32.22 72.19 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -80.2 -24.62 40.14 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.867 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -34.85 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.498 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.57 -55.61 3.43 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.698 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.67 0.271 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.54 -41.46 97.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.33 -43.2 74.17 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -53.99 -24.79 17.99 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.232 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.19 -23.33 18.6 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.041 -1.064 . . . . 0.0 111.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.67 -62.39 1.65 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.786 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -45.19 -52.5 9.32 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.92 -39.28 79.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.958 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -28.22 20.04 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.86 -1.136 . . . . 0.0 110.781 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.56 -47.48 13.03 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.666 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mp -42.03 -62.5 0.91 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.717 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.54 -63.72 0.89 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.786 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . 0.628 ' N ' HD21 ' S' ' 28' ' ' ASN . 0.8 OUTLIER -45.54 -48.42 14.3 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.09 -33.38 50.76 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.627 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.863 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.3 OUTLIER -50.29 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.954 -179.711 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.663 ' C ' ' H ' ' S' ' 33' ' ' ASP . 22.6 tt0 -17.75 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.778 0 O-C-N 125.597 1.81 . . . . 0.0 110.825 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.823 ' O ' ' N ' ' S' ' 34' ' ' LEU . 17.1 m120 -71.34 32.87 0.05 OUTLIER 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.107 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.863 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.4 OUTLIER 18.76 26.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 124.57 1.169 . . . . 0.0 113.405 -178.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.823 ' N ' ' O ' ' S' ' 32' ' ' ASN . 6.6 mt -85.14 9.49 14.79 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.462 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.539 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 27.8 p-80 -80.25 -19.65 46.35 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.419 HD22 ' HE1' ' R' ' 19' ' ' TRP . 1.4 mt -46.25 -52.1 30.12 Favored Pre-proline 0 N--CA 1.495 1.808 0 C-N-CA 118.459 -1.297 . . . . 0.0 113.999 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.2 Cg_exo -56.28 -66.02 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 120.442 0.761 . . . . 0.0 111.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -56.26 -38.83 71.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.423 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 24.9 tp -53.68 -38.99 64.74 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.121 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -20.66 62.18 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.85 -58.3 6.85 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.997 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 42' ' ' MET . . . . . 0.424 ' O ' ' C ' ' S' ' 43' ' ' LEU . 7.1 mmt -87.56 43.24 1.09 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.78 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.5 OUTLIER -38.06 -54.52 1.33 Allowed 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.123 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.478 ' O ' ' O ' ' S' ' 43' ' ' LEU . 58.8 m 39.95 98.16 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -52.59 -39.23 75.96 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.374 0.716 . . . . 0.0 111.623 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' S' ' 46' ' ' ASP . 0.0 OUTLIER -58.04 -21.93 47.62 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.964 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' OE2' ' R' ' 47' ' ' GLU . 9.1 tp10 -93.11 -35.41 13.21 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -59.16 -56.45 22.0 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.72 -23.85 65.31 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.274 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.62 -22.93 23.23 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.34 -59.22 4.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.977 -1.089 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.1 82.14 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -12.9 4.86 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.042 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' R' ' 42' ' ' MET . 2.3 tpp180 -90.68 -63.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.671 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -17.68 3.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.668 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' S' ' 57' ' ' ILE . 29.6 ttt85 -64.48 -59.07 4.76 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.303 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.498 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.7 OUTLIER -41.07 -46.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.498 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 97.1 t -51.21 -64.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.522 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' S' ' 59' ' ' GLU . 10.6 tt0 -66.76 -12.95 60.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.868 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.874 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.08 -11.01 39.97 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.852 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -39.26 91.06 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.418 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -45.81 -70.19 0.11 Allowed 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.274 -0.97 . . . . 0.0 111.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.542 ' O ' ' N ' ' S' ' 101' ' ' GLU . 31.7 t90 -64.22 -59.94 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.94 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' S' ' 99' ' ' TRP . 13.1 tp -32.01 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.757 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.6 mt-10 -74.46 -41.72 60.32 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.9 mm-40 -70.84 -29.8 66.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.825 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -41.55 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 118.448 -1.301 . . . . 0.0 112.001 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -96.1 -60.85 1.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 111.51 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' S' ' 105' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.489 1.509 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.439 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 46.2 m80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.709 0.29 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.77 -21.0 18.41 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' R' ' 18' ' ' GLU . 1.8 pm0 -112.33 -32.23 6.58 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.435 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 67.9 t-105 -48.19 -23.22 0.8 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.61 -64.33 1.3 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.725 -0.79 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -40.97 -44.78 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 39.6 t80 -91.32 -47.08 7.68 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.549 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' R' ' 19' ' ' TRP . 10.7 t -51.6 -15.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 118.148 -1.421 . . . . 0.0 109.686 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 0.4 OUTLIER -85.26 -23.37 28.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.245 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.86 -19.81 36.78 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.327 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' R' ' 26' ' ' LEU . 0.1 OUTLIER -65.02 -40.3 94.67 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.512 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.11 57.67 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.737 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -63.42 -44.78 93.63 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.012 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -64.44 -55.9 17.77 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.405 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -43.19 -53.67 4.92 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 118.756 -1.177 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' R' ' 30' ' ' TYR . 5.1 tt0 -5.61 -61.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 126.963 2.665 . . . . 0.0 111.295 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -102.9 -92.3 0.34 Allowed 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 117.111 -1.836 . . . . 0.0 108.395 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 48.4 m-20 -132.51 15.55 4.46 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.451 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 3.2 mm? -86.98 9.09 20.6 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 116.578 -2.049 . . . . 0.0 116.077 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.2 p-80 -57.42 -50.86 71.66 Favored 'General case' 0 C--N 1.277 -2.56 0 C-N-CA 117.472 -1.691 . . . . 0.0 110.213 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.496 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 3.7 mt -37.68 -65.44 0.36 Allowed Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.9 Cg_endo -43.99 -85.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 120.917 1.078 . . . . 0.0 112.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.89 -45.98 10.61 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.474 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 64.1 tp -53.19 -34.11 55.57 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.01 -45.04 82.99 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.727 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' R' ' 43' ' ' LEU . 4.3 mm? -45.0 -32.03 1.51 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.182 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 4.2 mtt -76.46 35.55 0.15 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.301 -0.959 . . . . 0.0 109.869 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' R' ' 41' ' ' LEU . 3.6 mt -80.8 5.95 14.46 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.539 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.09 160.35 0.35 Allowed Pre-proline 0 C--N 1.303 -1.415 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.834 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -53.69 -65.57 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.281 1.321 . . . . 0.0 111.751 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.28 -63.79 1.02 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.366 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -46.58 -47.02 19.88 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.66 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -51.29 -40.19 58.41 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.23 -2.0 47.03 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.54 -40.16 14.51 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.54 -39.74 58.32 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.137 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 -38.92 95.59 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -65.69 -24.01 66.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -76.45 -31.36 57.78 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.371 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 9.6 t -77.95 -23.81 13.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.526 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' R' ' 57' ' ' ILE . 0.1 OUTLIER -59.06 -67.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.406 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.437 HG13 ' H ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -38.6 -75.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.861 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.437 ' H ' HG13 ' R' ' 57' ' ' ILE . 84.5 t -35.84 -63.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' R' ' 60' ' ' GLU . 4.5 tp10 -52.95 -63.36 1.17 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' R' ' 59' ' ' GLU . 28.7 mt-10 -37.56 -46.13 0.81 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.381 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.306 -1.302 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.837 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 C--O 1.213 -0.742 0 N-CA-C 111.253 -0.326 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.65 -15.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.202 -0.999 . . . . 0.0 109.716 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.63 -11.04 46.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.403 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -94.73 -42.05 8.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -47.89 -20.87 0.35 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.581 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' R' ' 96' ' ' LEU . 3.7 mt-30 -51.38 -54.32 27.75 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -95.2 -52.89 4.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.195 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . 0.56 ' C ' ' H ' ' R' ' 102' ' ' GLU . 1.9 tp -45.09 -50.67 10.92 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.232 -0.895 . . . . 0.0 113.067 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.56 0.19 0.08 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.253 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . 0.56 ' H ' ' C ' ' R' ' 100' ' ' LEU . 20.1 mt-10 -110.29 -33.68 6.57 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.469 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 p -95.31 -25.76 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 119.32 -0.952 . . . . 0.0 112.921 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -24.17 27.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.488 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 N--CA 1.49 1.562 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.167 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.051 0.453 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -90.84 -65.18 1.04 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.75 -35.12 79.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.124 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . 0.472 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 64.8 t-105 -52.48 -68.21 0.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -36.8 84.15 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.259 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -50.25 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.144 -1.023 . . . . 0.0 112.002 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -57.89 -49.51 76.48 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 40.8 t -41.06 -43.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.18 -24.41 65.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.353 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.46 -33.95 31.71 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.23 -50.69 49.04 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.833 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -68.76 -26.59 65.3 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.041 -1.064 . . . . 0.0 112.269 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.1 -32.83 71.07 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.05 -27.17 35.83 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.95 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.2 OUTLIER -60.43 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.726 -1.19 . . . . 0.0 112.385 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.76 ' C ' ' H ' ' S' ' 33' ' ' ASP . 3.7 pt20 -19.76 -46.46 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.063 0 O-C-N 125.868 1.98 . . . . 0.0 111.943 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.846 ' O ' ' N ' ' S' ' 34' ' ' LEU . 16.4 m120 -78.78 26.91 0.23 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.95 ' N ' ' O ' ' S' ' 30' ' ' TYR 0.259 0.4 OUTLIER 12.56 23.93 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 112.713 -2.04 . . . . 0.0 115.564 -179.025 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.846 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.4 OUTLIER -102.88 3.72 36.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.445 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' S' ' 30' ' ' TYR . 44.5 p-80 -61.62 22.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.334 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.5 tp -68.44 -38.43 12.77 Favored Pre-proline 0 C--N 1.302 -1.484 0 C-N-CA 118.343 -1.343 . . . . 0.0 113.894 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 4.1 Cg_exo -63.83 -70.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.758 0.972 . . . . 0.0 110.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.5 OUTLIER -44.71 -48.0 10.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.696 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.21 -36.42 70.86 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.562 -1.255 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' S' ' 37' ' ' PRO . 20.9 t-20 -74.29 -39.62 62.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.018 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.28 -48.34 6.73 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 42.36 0.48 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.402 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.7 mt -65.3 -81.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 118.882 -1.127 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.512 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 51.23 114.15 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.449 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.41 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -52.88 -23.53 21.28 Favored 'Trans proline' 0 C--N 1.326 -0.607 0 CA-C-N 118.993 0.676 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.76 -51.53 22.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.97 -43.77 70.82 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.598 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' S' ' 50' ' ' ALA . 24.6 ttp180 -51.56 -63.43 1.14 Allowed 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.49 -13.08 0.54 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' S' ' 48' ' ' ARG . . . -95.0 -25.97 16.27 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.0 -63.12 1.37 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.52 -39.37 37.12 Favored Glycine 0 N--CA 1.486 1.984 0 C-N-CA 119.651 -1.261 . . . . 0.0 110.186 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -58.89 -42.18 88.91 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -60.4 -60.69 3.41 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.659 -0.817 . . . . 0.0 111.348 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.6 -28.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' S' ' 60' ' ' GLU . 5.8 ttt180 -55.88 -63.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.581 -0.847 . . . . 0.0 111.785 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.531 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.9 OUTLIER -40.59 -49.1 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.065 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.531 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 61.3 t -55.17 -65.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.209 -0.996 . . . . 0.0 112.125 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 0.21 26.2 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.76 -0.776 . . . . 0.0 113.039 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' S' ' 56' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 118.609 -1.236 . . . . 0.0 111.393 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -24.46 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.655 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -61.41 2.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.397 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . 0.605 ' CD ' ' H ' ' S' ' 97' ' ' ARG . 0.0 OUTLIER -41.4 -33.73 0.45 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.71 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -51.76 -60.62 2.96 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.019 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.447 ' O ' ' C ' ' S' ' 100' ' ' LEU . 52.7 t90 -75.9 -53.39 8.5 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 118.238 -1.385 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.8 tp -31.41 -61.4 0.21 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.006 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -39.75 -38.49 0.65 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.8 mm-40 -79.77 -28.83 40.32 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.614 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' S' ' 100' ' ' LEU . 0.6 OUTLIER -85.28 -38.15 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 118.415 -1.314 . . . . 0.0 112.37 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . 0.415 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 2.8 mt -106.47 -80.33 0.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.183 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.951 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -77.62 -62.63 1.6 Allowed 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.96 -38.24 67.52 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . 0.43 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 74.1 t-105 -42.44 -32.59 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' R' ' 21' ' ' ARG . 33.3 mt -112.12 -67.57 0.99 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.053 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' R' ' 20' ' ' LEU . 1.8 ttt-85 -33.34 -44.34 0.13 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.924 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' R' ' 25' ' ' LEU . 0.5 OUTLIER -93.77 -57.52 2.53 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.997 -1.081 . . . . 0.0 112.333 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' R' ' 22' ' ' PHE . 42.4 t -40.82 -38.15 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.445 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' R' ' 25' ' ' LEU . 0.0 OUTLIER -62.09 -42.21 98.99 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.286 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' R' ' 22' ' ' PHE . 77.6 mt -53.67 -35.96 61.63 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.078 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -51.41 -30.57 19.66 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 117.893 -1.523 . . . . 0.0 108.187 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.93 60.47 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.872 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -49.01 78.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.244 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' R' ' 34' ' ' LEU . . . -62.04 -44.89 95.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.864 -1.135 . . . . 0.0 110.037 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.3 m-85 -47.92 -47.64 32.21 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 116.608 -2.037 . . . . 0.0 109.831 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' R' ' 30' ' ' TYR . 6.1 tt0 -4.0 -63.35 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.065 2.103 . . . . 0.0 110.647 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.3 OUTLIER -107.41 -94.56 0.38 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.411 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -133.5 15.44 4.06 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' R' ' 29' ' ' ALA . 8.0 mp -73.89 11.8 0.81 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 34.7 p-80 -88.87 -49.87 6.55 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.344 -1.343 . . . . 0.0 110.021 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.561 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.4 mt -42.65 -53.11 10.05 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -50.91 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 120.429 0.753 . . . . 0.0 113.157 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.5 pp -62.98 -40.79 98.79 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.185 -1.406 . . . . 0.0 110.768 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 42.7 tp -43.72 -36.55 2.28 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.429 -1.308 . . . . 0.0 109.048 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' R' ' 41' ' ' LEU . 1.8 t-20 -73.73 -30.66 62.95 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.536 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' R' ' 38' ' ' LEU . 47.4 tp -37.84 -35.03 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 81.6 mmm -126.91 55.1 1.58 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.719 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -82.99 4.5 25.67 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' R' R ' 44' ' ' THR . . . . . 0.44 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.5 OUTLIER -39.3 161.11 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.328 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.12 -31.41 90.3 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 121.609 1.539 . . . . 0.0 111.914 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -59.24 -40.92 87.43 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.615 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' R' ' 46' ' ' ASP . 0.7 OUTLIER -88.4 -53.15 4.82 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.22 -0.992 . . . . 0.0 111.507 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -54.26 -23.85 16.51 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.654 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' R' ' 49' ' ' GLU . 7.0 tm-20 -85.58 -18.37 33.56 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.658 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.32 -25.52 16.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.073 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.29 -63.56 1.24 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.924 -1.111 . . . . 0.0 110.776 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.01 27.84 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.709 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -60.8 -42.25 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -68.38 -25.86 65.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.491 -0.883 . . . . 0.0 111.038 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.86 -29.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.31 28.11 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.443 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.536 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 1.6 pt -49.95 -53.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 C-N-CA 119.637 -0.825 . . . . 0.0 112.935 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' R' ' 57' ' ' ILE . 1.6 p -54.72 -55.9 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.152 -1.419 . . . . 0.0 111.298 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . 0.423 ' H ' HG12 ' R' ' 58' ' ' VAL . 8.3 tt0 -49.98 -49.44 50.48 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.16 -49.95 52.13 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.292 -0.963 . . . . 0.0 111.67 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.489 1.506 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.015 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' R' ' 95' ' ' GLU . 6.0 Cg_exo . . . . . 0 C--O 1.215 -0.672 0 CA-C-O 120.586 0.161 . . . . 0.0 112.09 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -7.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.217 -0.993 . . . . 0.0 110.291 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' R' ' 93' ' ' PRO . 26.8 mm-40 -88.0 -11.04 48.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.203 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.492 ' C ' ' N ' ' R' ' 98' ' ' GLN . 16.5 tp -95.62 -35.31 11.66 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' R' ' 96' ' ' LEU . 57.6 mtp180 -46.95 -22.98 0.38 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.266 -0.974 . . . . 0.0 108.376 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . 0.492 ' N ' ' C ' ' R' ' 96' ' ' LEU . 44.4 mm-40 -49.83 -65.67 0.52 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.41 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' R' ' 101' ' ' GLU . 36.0 t90 -82.57 -54.81 4.88 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.127 -1.429 . . . . 0.0 112.086 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' R' ' 99' ' ' TRP . 2.0 tp -39.06 -23.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' R' ' 99' ' ' TRP . 4.2 mt-10 -67.93 -57.25 6.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.791 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -20.72 1.49 Allowed 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.656 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' R' ' 101' ' ' GLU . 5.4 t -84.4 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.306 -0.958 . . . . 0.0 113.111 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' R' ' 105' ' ' LEU . 12.4 mt -93.03 -17.12 24.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.155 -1.018 . . . . 0.0 113.687 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' R' ' 101' ' ' GLU . 44.1 tp . . . . . 0 N--CA 1.496 1.854 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.831 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.657 0.265 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.06 -50.14 5.22 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -72.93 -35.4 67.0 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -49.41 -16.09 0.18 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.583 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' S' ' 24' ' ' ASP . 13.3 mt -112.06 -61.61 1.69 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.096 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -49.0 28.09 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -87.73 -41.45 13.32 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 118.522 -1.271 . . . . 0.0 112.795 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 41.2 t -51.95 -25.09 5.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.044 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 1.1 m-20 -67.77 -31.5 71.43 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.566 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.77 -29.27 62.1 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.441 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.72 -39.07 90.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.012 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -24.84 66.18 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.214 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -74.96 -43.19 55.45 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.38 -75.16 0.03 OUTLIER 'General case' 0 C--O 1.195 -1.775 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.689 ' C ' ' O ' ' S' ' 29' ' ' ALA . 16.7 m-85 -11.66 -74.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.457 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' S' ' 29' ' ' ALA . 4.2 mm-40 -67.48 -38.17 83.97 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' S' ' 29' ' ' ALA . 2.9 m-80 -101.92 -14.47 17.2 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.937 ' O ' ' N ' ' S' ' 35' ' ' HIS . 37.7 t0 -111.66 14.93 21.22 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.688 ' O ' ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER 15.99 29.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.906 0.86 . . . . 0.0 112.292 -179.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.937 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER 5.75 1.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 C-N-CA 131.218 3.807 . . . . 0.0 118.464 -175.175 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.688 ' N ' ' O ' ' S' ' 34' ' ' LEU . 0.5 OUTLIER -51.34 -50.0 78.74 Favored Pre-proline 0 C--N 1.283 -2.322 0 C-N-CA 118.007 -1.477 . . . . 0.0 111.398 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 5.9 Cg_exo -63.29 -73.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 110.324 -0.683 . . . . 0.0 110.324 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' S' ' 39' ' ' LEU . 0.4 OUTLIER -50.28 -56.71 10.05 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.375 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 38.3 tp -43.05 -43.99 4.58 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 117.746 -1.582 . . . . 0.0 111.256 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.27 -22.57 61.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.478 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -50.58 63.23 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 118.782 -1.167 . . . . 0.0 111.22 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 42' ' ' MET . . . . . 0.449 ' O ' ' OG1' ' S' ' 44' ' ' THR . 4.3 mmm -110.35 35.83 3.29 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.136 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.587 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.4 OUTLIER -46.17 -31.77 2.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.212 -0.995 . . . . 0.0 111.114 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.587 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 31.25 114.42 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.36 -27.5 31.46 Favored 'Trans proline' 0 C--O 1.216 -0.589 0 CA-C-N 118.903 0.644 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -39.9 95.61 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.044 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.62 -43.16 49.42 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.254 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -49.63 -36.87 25.9 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.294 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -29.05 69.26 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.696 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -13.47 30.81 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 2.3 tm? -61.67 -72.89 0.11 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.4 -38.37 62.35 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m -67.66 -32.83 73.78 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.431 -0.907 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -64.71 -35.82 82.28 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -22.91 10.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.584 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.55 -37.05 84.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.436 HG21 ' H ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -65.91 -61.35 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 C-N-CA 118.206 -1.398 . . . . 0.0 111.332 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.436 ' H ' HG21 ' S' ' 57' ' ' ILE . 1.4 p -46.9 -43.22 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 118.55 -1.26 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.25 -63.77 1.18 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.347 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.489 1.485 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.523 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' S' ' 96' ' ' LEU . 29.9 t . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.705 0.288 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -71.09 5.9 1.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' S' ' 98' ' ' GLN . 1.1 tt -99.08 -56.14 2.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -22.28 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.629 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' S' ' 96' ' ' LEU . 54.7 mt-30 -53.93 -60.38 3.4 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.519 -0.873 . . . . 0.0 110.143 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.4 t90 -76.07 -55.56 5.48 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.4 tp -34.28 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.045 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.8 mt-10 -66.97 -37.37 84.12 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' S' ' 99' ' ' TRP . 36.8 mm-40 -74.67 -29.55 61.28 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.4 -35.96 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.362 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.59 -55.86 2.78 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.159 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.486 1.368 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.071 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 121.149 0.499 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.02 -62.05 2.13 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.7 -20.93 61.14 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.785 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -46.92 -41.94 16.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.593 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.99 -30.34 7.29 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 21' ' ' ARG . . . . . 0.417 ' O ' ' OD2' ' R' ' 24' ' ' ASP . 15.1 ttp-105 -62.89 -25.8 68.48 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.683 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -103.68 -44.97 4.94 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.013 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.93 -30.9 16.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.613 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 24' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' R' ' 21' ' ' ARG . 2.5 p30 -63.88 -27.86 69.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.002 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.3 -33.94 59.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.203 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.02 -48.32 73.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.155 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -25.38 61.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -51.24 44.87 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 29' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' R' ' 34' ' ' LEU . . . -57.56 -24.0 53.73 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.533 -1.267 . . . . 0.0 109.937 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 30' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.1 m-85 -68.76 -48.33 63.99 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 116.305 -2.158 . . . . 0.0 108.287 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 31' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.4 tt0 -4.21 -64.52 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 126.342 2.276 . . . . 0.0 110.718 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 32' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' R' ' 30' ' ' TYR . 4.4 t-20 -104.76 -94.79 0.34 Allowed 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 33' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 8.8 t70 -133.4 14.61 4.12 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' R' ' 29' ' ' ALA . 8.0 mp -70.24 10.18 0.48 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.241 -1.784 . . . . 0.0 115.585 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 35' ' ' HIS . . . . . 0.462 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 16.0 p-80 -86.35 -49.16 7.86 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 117.481 -1.688 . . . . 0.0 108.141 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.0 OUTLIER -36.26 -56.43 1.24 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.21 -76.5 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.703 0 C-N-CA 120.484 0.789 . . . . 0.0 113.578 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 38' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.1 OUTLIER -60.08 -42.67 95.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.433 -1.307 . . . . 0.0 110.619 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 42.5 tp -47.34 -36.37 9.37 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.365 -1.334 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -32.01 64.86 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.073 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.47 -43.07 7.56 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.035 -1.066 . . . . 0.0 111.009 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.07 43.13 1.03 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.676 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.87 10.45 3.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.03 160.13 0.23 Allowed Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 119.419 -0.913 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -51.72 3.67 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.3 1.333 . . . . 0.0 111.677 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.3 -44.82 88.72 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.847 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.23 -44.29 59.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -48.71 -51.84 26.63 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.51 -39.31 77.65 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.35 -38.94 13.87 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.363 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 51' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 0.2 OUTLIER -49.66 -70.98 0.07 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.948 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.23 -28.72 0.88 Allowed Glycine 0 N--CA 1.483 1.773 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -53.86 25.77 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.48 -12.11 29.12 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.25 -28.62 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -63.88 -51.87 62.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.642 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 57' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -47.03 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.108 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' R' R ' 58' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' R' ' 57' ' ' ILE . 14.2 t -32.16 -58.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 124.019 0.824 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -46.58 -59.63 2.88 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.57 -22.73 59.97 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.927 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.3 -1.556 0 C-N-CA 118.963 -1.095 . . . . 0.0 111.075 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' R' R ' 93' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' R' ' 95' ' ' GLU . 9.7 Cg_endo . . . . . 0 C--O 1.214 -0.702 0 N-CA-C 111.087 -0.389 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.84 -13.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.978 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 95' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' R' ' 93' ' ' PRO . 21.8 mm-40 -75.77 -0.4 20.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 96' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' R' ' 96' ' ' LEU . 3.0 tm? -81.33 -44.37 17.73 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -65.91 -30.21 70.76 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.929 -0.709 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -46.08 -71.44 0.07 Allowed 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -67.26 -48.83 66.56 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.213 -1.395 . . . . 0.0 112.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -40.17 27.03 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.468 -0.893 . . . . 0.0 113.167 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.23 -16.01 29.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -98.39 -25.59 14.76 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' R' R ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 1.8 p -95.56 -41.01 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 C-N-CA 118.772 -1.171 . . . . 0.0 114.037 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 104' ' ' LEU . . . . . 0.469 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 3.8 mt -90.83 -58.51 2.45 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.901 -1.12 . . . . 0.0 112.406 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--N 1.303 -1.443 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.492 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t60 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -95.04 -46.18 6.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.597 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 18' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mt-10 -72.07 -37.94 69.53 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.522 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 19' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 57.7 t-105 -44.69 -11.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' S' ' 18' ' ' GLU . 11.8 mt -111.2 -63.41 1.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.737 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -44.92 -46.12 10.77 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.454 -0.794 . . . . 0.0 113.127 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 22' ' ' PHE . . . . . 0.46 ' C ' ' N ' ' S' ' 24' ' ' ASP . 22.4 m-85 -81.58 -50.04 9.83 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.911 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 23' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' S' ' 22' ' ' PHE . 96.4 t -46.37 -21.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 C-N-CA 118.362 -1.335 . . . . 0.0 109.596 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 24' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.4 OUTLIER -71.53 -43.87 65.66 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.815 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -64.22 -22.86 67.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.489 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -54.76 24.62 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.36 -1.336 . . . . 0.0 108.93 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -10.9 16.26 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.339 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 28' ' ' ASN . . . . . 0.409 ' HA ' HE21 ' S' ' 31' ' ' GLN . 1.5 m120 -79.58 -45.03 19.95 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -30.79 69.87 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 30' ' ' TYR . . . . . 0.88 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.9 m-85 -56.15 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.709 -1.196 . . . . 0.0 111.066 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 31' ' ' GLN . . . . . 0.581 ' C ' ' H ' ' S' ' 33' ' ' ASP . 10.4 pt20 -20.89 -50.59 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 125.009 1.443 . . . . 0.0 111.973 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . 0.81 ' O ' ' N ' ' S' ' 34' ' ' LEU . 12.6 m120 -81.22 32.87 0.34 Allowed 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 33' ' ' ASP . . . . . 0.88 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.3 m-20 19.89 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 124.694 1.246 . . . . 0.0 112.676 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' S' ' 32' ' ' ASN . 2.4 mt -91.01 12.71 18.87 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.22 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 35' ' ' HIS . . . . . 0.513 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 26.0 p-80 -76.04 -23.67 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.06 -48.4 97.14 Favored Pre-proline 0 N--CA 1.5 2.037 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.57 -61.81 0.29 Allowed 'Trans proline' 0 C--N 1.32 -0.964 0 CA-C-N 119.41 0.825 . . . . 0.0 112.466 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' S' ' 39' ' ' LEU . 0.5 OUTLIER -67.19 -37.54 83.85 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.793 -1.563 . . . . 0.0 110.31 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 39' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 21.0 tp -52.6 -37.07 57.43 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.303 -1.759 . . . . 0.0 108.383 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -32.35 72.37 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.26 -32.98 0.87 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.074 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 71.1 mmm -127.84 58.02 1.52 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.654 -0.819 . . . . 0.0 112.101 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 43' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.6 pp -89.02 3.41 51.76 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 44' ' ' THR . . . . . 0.457 ' O ' ' O ' ' S' ' 43' ' ' LEU . 1.2 p -31.31 153.2 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.548 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.39 -46.56 30.76 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.42 1.414 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -18.1 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.718 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -108.87 -28.63 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.75 -58.89 3.35 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.211 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.43 -12.27 5.81 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.734 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.54 -30.3 14.46 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.54 -62.62 1.31 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.39 -33.94 17.82 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.878 -1.629 . . . . 0.0 109.264 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 95.3 m -70.63 -32.85 70.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -61.59 -56.74 16.65 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.01 -35.1 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -51.45 -55.46 18.67 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.221 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -55.08 -54.92 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.875 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 67.8 t -44.96 -63.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.166 -1.014 . . . . 0.0 111.602 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.82 -11.99 15.23 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.781 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.49 1.532 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.967 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -88.89 -31.64 18.14 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.558 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 24.2 tp -78.48 -42.33 30.0 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.934 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -52.86 -25.8 12.7 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -63.67 1.05 Allowed 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.434 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 99' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' S' ' 100' ' ' LEU . 32.5 t90 -81.58 -59.19 2.7 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.013 -1.075 . . . . 0.0 111.745 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 100' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -26.88 -53.16 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.762 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.45 -51.25 8.87 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 102' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' S' ' 99' ' ' TRP . 21.2 mt-10 -59.95 -30.96 69.43 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.531 -0.867 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 14.3 t -68.63 -68.87 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.814 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.64 -77.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.914 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 121.042 0.449 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t 53.69 73.25 0.95 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.651 -0.82 . . . . 0.0 112.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -72.84 -12.9 26.6 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.738 1.626 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -161.54 -2.06 0.05 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.4 113.77 14.35 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.356 -0.938 . . . . 0.0 111.314 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.19 148.15 37.74 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.27 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 161.51 21.02 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -46.63 7.47 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.188 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.33 10.65 0.51 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.008 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' R' ' 14' ' ' GLN . 68.4 mt-10 54.71 -160.38 0.16 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' R' ' 14' ' ' GLN . 0.9 OUTLIER 50.15 177.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.518 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -153.14 -14.28 0.15 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -42.33 -28.75 0.22 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.26 -54.01 9.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.0 OUTLIER -49.13 -74.41 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.945 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' R' ' 18' ' ' GLU . 16.0 t-105 -32.77 -31.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 18' ' ' GLU . 12.4 mt -90.77 -39.22 12.52 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.588 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' R' ' 18' ' ' GLU . 0.1 OUTLIER -69.54 -23.27 63.56 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.301 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' R' ' 22' ' ' PHE . 0.8 OUTLIER -81.19 -64.82 1.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' R' ' 22' ' ' PHE . 35.6 m -49.0 -30.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.521 -1.272 . . . . 0.0 109.115 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -38.42 67.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 118.963 -1.095 . . . . 0.0 108.939 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.77 -34.87 77.65 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.125 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.69 -44.43 66.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.675 -1.21 . . . . 0.0 109.571 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -57.16 -53.89 53.02 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.397 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . 0.485 ' H ' HD21 ' R' ' 28' ' ' ASN . 4.3 m-80 -42.98 -53.08 4.94 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.19 -54.0 48.88 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.498 -1.281 . . . . 0.0 110.057 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.8 m-85 -47.37 -70.14 0.1 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.1 tt0 11.7 -70.09 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.678 2.486 . . . . 0.0 110.341 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.3 t-20 -94.74 -95.97 0.17 Allowed 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -151.58 22.41 0.71 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.7 15.84 1.6 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 114.455 -1.248 . . . . 0.0 114.096 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.558 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 17.4 p-80 -96.26 -17.52 20.69 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.348 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 0.3 OUTLIER -47.49 -48.91 56.96 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.584 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -61.59 -69.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.954 0 CA-C-N 118.58 0.529 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -29.6 36.37 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.262 -1.375 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.65 -34.17 72.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 117.69 -1.604 . . . . 0.0 108.323 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.0 OUTLIER -68.63 -30.28 68.96 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.823 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.13 -4.6 10.57 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.434 -1.306 . . . . 0.0 107.845 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 42' ' ' MET . . . . . 0.476 ' H ' ' C ' ' R' ' 40' ' ' ASN . 0.2 OUTLIER -105.26 16.52 25.55 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.365 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.86 12.31 7.65 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.679 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -45.69 151.89 0.77 Allowed Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.72 -56.37 1.77 Allowed 'Trans proline' 0 C--N 1.322 -0.868 0 C-N-CA 120.84 1.027 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 2.4 p30 -51.31 -44.57 61.97 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 2.3 tp10 -76.07 -34.52 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -54.69 -31.14 57.49 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -22.77 20.98 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -11.91 56.3 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 2.7 tm? -69.39 -72.42 0.19 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.88 -30.49 5.01 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 119.074 -1.536 . . . . 0.0 109.919 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -71.72 -45.92 60.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -48.15 -38.98 19.28 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -21.96 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 19.6 ttm105 -65.04 -46.43 81.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.676 -0.809 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -59.38 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.312 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' R' ' 59' ' ' GLU . 31.0 m -32.7 -50.39 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.786 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . 0.472 ' N ' ' CG2' ' R' ' 58' ' ' VAL . 14.8 tt0 -59.4 -53.84 53.56 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.849 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.44 -17.81 64.83 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 119.771 -0.772 . . . . 0.0 112.458 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.22 -56.03 5.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.722 -1.191 . . . . 0.0 111.421 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' R' ' 64' ' ' GLY . 1.4 tp -84.46 20.67 1.63 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.387 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . 0.558 ' C ' ' H ' ' R' ' 65' ' ' GLU . 20.6 ptt180 -43.96 -11.61 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' R' ' 62' ' ' LEU . . . -49.31 -6.43 0.06 OUTLIER Glycine 0 N--CA 1.495 2.595 0 C-N-CA 119.57 -1.3 . . . . 0.0 111.542 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . 0.558 ' H ' ' C ' ' R' ' 63' ' ' ARG . 0.7 OUTLIER -81.62 35.8 0.42 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.607 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.27 47.01 5.67 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 18.1 t -59.85 116.17 3.91 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -93.82 -59.85 1.89 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.066 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 26.73 10.27 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.22 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.86 8.31 10.51 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.439 -0.904 . . . . 0.0 111.506 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.4 -48.86 79.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.12 138.42 13.76 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.535 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -6.37 12.14 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.221 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -141.29 73.46 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.409 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -42.72 73.56 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.722 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.35 -32.81 5.44 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.253 -1.451 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . 178.09 114.79 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -14.04 1.24 Allowed Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.599 -1.286 . . . . 0.0 110.025 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 tp -71.25 -3.5 3.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' R' ' 82' ' ' ILE . . . -82.98 -42.87 17.05 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.214 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 7.3 m -61.16 -4.63 1.18 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . 0.508 ' C ' ' H ' ' R' ' 84' ' ' ARG . 56.7 mt -106.87 -67.6 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.18 6.5 0.74 Allowed 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' R' ' 82' ' ' ILE . 13.5 ttm180 -41.43 -74.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.368 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.72 -149.69 21.34 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 2.8 t -88.35 108.06 19.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.174 -1.01 . . . . 0.0 110.682 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -14.78 40.16 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -90.91 128.55 36.81 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . 0.628 ' H ' ' CD2' ' R' ' 89' ' ' LEU . 0.0 OUTLIER -54.77 -33.51 61.44 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.744 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -63.99 -23.97 67.54 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 45.75 59.1 3.85 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.661 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.91 68.39 7.44 Favored Pre-proline 0 N--CA 1.487 1.398 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.383 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' R' ' 95' ' ' GLU . 6.3 Cg_endo -73.12 -0.14 8.69 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.941 1.761 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.75 -13.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' R' ' 93' ' ' PRO . 18.4 mt-10 -75.49 -17.1 60.21 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' R' ' 98' ' ' GLN . 28.0 tp -86.83 -44.7 11.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -47.28 -19.01 0.12 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.31 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' R' ' 96' ' ' LEU . 5.4 mt-30 -62.94 -60.3 3.65 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.894 -0.722 . . . . 0.0 111.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -81.46 -53.07 6.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.467 -1.293 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.64 -53.68 4.34 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.567 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.76 -19.76 2.69 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.25 -13.46 20.79 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.22 -29.59 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.294 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -33.54 22.03 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.638 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' R' ' 106' ' ' LYS . 1.3 mp -105.95 -51.7 2.94 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.38 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' R' ' 105' ' ' LEU . 11.0 tttp 59.79 118.46 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.444 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' S' ' 5' ' ' SER . 10.0 tt0 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' SER . . . . . 0.461 ' O ' ' O ' ' S' ' 4' ' ' GLN . 0.3 OUTLIER 54.34 167.15 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -58.81 -50.62 8.7 Favored 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 120.802 1.001 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.47 18.91 0.73 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 62.41 137.96 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.71 -171.4 2.2 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.8 151.55 23.72 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 27.8 mtm -115.27 172.81 6.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.792 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.95 142.95 42.37 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.593 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -151.85 157.41 41.86 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -146.58 -154.53 0.55 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.493 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . 0.545 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 2.8 ptp180 -43.39 115.23 0.74 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.909 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' S' ' 15' ' ' ARG . 1.6 m-70 -179.39 73.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.71 -34.83 11.79 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.609 -0.837 . . . . 0.0 112.541 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mm-40 -91.37 -45.01 8.81 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.202 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -42.75 -13.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' S' ' 18' ' ' GLU . 81.6 mt -115.52 -81.22 0.61 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.861 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -39.27 -39.61 0.65 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.807 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' S' ' 25' ' ' LEU . 0.7 OUTLIER -85.25 -54.51 4.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.764 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' S' ' 22' ' ' PHE . 42.4 t -46.86 -23.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 118.541 -1.264 . . . . 0.0 109.686 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.6 OUTLIER -69.82 -41.05 75.52 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 119.386 -0.925 . . . . 0.0 108.834 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' S' ' 22' ' ' PHE . 73.8 mt -59.33 -28.23 66.63 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.363 -0.935 . . . . 0.0 108.989 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.85 -40.95 81.36 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.691 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -68.84 -24.18 64.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.463 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.99 -50.11 57.61 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.861 -1.135 . . . . 0.0 110.138 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.33 90.35 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.764 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.2 m-85 -48.56 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.207 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.549 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.1 OUTLIER -13.72 -66.3 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 125.049 1.468 . . . . 0.0 112.798 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' S' ' 34' ' ' LEU . 45.3 m-80 -77.32 35.24 0.17 Allowed 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.706 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.764 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.6 OUTLIER 31.78 28.36 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.448 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.4 mt -91.82 14.46 15.39 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.398 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' S' ' 36' ' ' LEU . 26.7 p-80 -77.73 -21.4 51.94 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.3 mm? -35.59 -60.67 0.6 Allowed Pre-proline 0 N--CA 1.496 1.862 0 C-N-CA 119.441 -0.903 . . . . 0.0 111.497 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' S' ' 38' ' ' LEU . 1.6 Cg_endo -59.17 -72.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.339 0.693 . . . . 0.0 110.301 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' S' ' 41' ' ' LEU . 0.5 OUTLIER -38.86 -62.46 0.62 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.002 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.3 OUTLIER -43.36 -70.19 0.11 Allowed 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.238 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -50.17 -18.12 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' S' ' 38' ' ' LEU . 18.8 tp -55.34 -69.57 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.07 47.17 1.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.616 -0.833 . . . . 0.0 112.762 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 44' ' ' THR . 1.6 mt -61.13 -71.76 0.13 Allowed 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.537 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 73.07 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.792 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' S' ' 46' ' ' ASP . 3.1 Cg_exo -53.17 -61.0 0.52 Allowed 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 120.848 1.032 . . . . 0.0 112.051 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' S' ' 45' ' ' PRO . 39.8 t0 -38.16 -47.73 1.18 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.256 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.66 -39.97 84.53 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.624 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' S' ' 50' ' ' ALA . 72.1 ttt180 -50.32 -47.83 55.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.518 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.68 13.26 1.04 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' S' ' 48' ' ' ARG . . . -109.09 -42.95 4.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.865 -0.734 . . . . 0.0 111.967 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' S' ' 52' ' ' GLY . 3.1 pp -47.53 -54.12 12.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . 0.556 ' N ' ' CD1' ' S' ' 51' ' ' LEU . . . -59.01 -47.58 90.07 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 118.955 -1.593 . . . . 0.0 109.927 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -64.19 -8.01 11.04 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.708 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' S' ' 56' ' ' ARG . 2.0 tpp180 -90.68 -65.68 0.99 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.218 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.66 -23.3 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.305 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.03 -62.58 1.68 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.714 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.8 OUTLIER -42.69 -53.16 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.773 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 12.2 t -55.98 -68.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.46 -10.13 0.23 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.672 -0.811 . . . . 0.0 111.74 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' S' ' 64' ' ' GLY . 30.7 mt-10 -96.13 -57.66 2.28 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 60' ' ' GLU . 26.8 mt -41.27 -36.23 0.75 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -59.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.237 -0.985 . . . . 0.0 111.517 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -89.24 23.38 2.5 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.892 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' S' ' 60' ' ' GLU . . . -107.94 -21.1 7.96 Favored Glycine 0 N--CA 1.499 2.854 0 C-N-CA 119.604 -1.284 . . . . 0.0 111.215 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 14.66 0.8 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 66' ' ' MET . . . . . 0.423 ' H ' ' C ' ' S' ' 64' ' ' GLY . 13.6 mmt -127.7 6.71 6.18 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.723 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.93 138.93 38.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.509 -0.877 . . . . 0.0 111.223 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -90.84 -25.15 20.03 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.709 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -74.51 -2.54 26.18 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 55.82 85.69 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.603 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -17.3 14.46 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -142.11 8.76 1.87 Allowed 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -104.28 -41.47 5.77 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -152.63 79.73 1.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tp -122.2 -21.0 6.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.78 -36.64 3.7 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.213 -1.47 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.63 6.27 3.74 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' S' ' 80' ' ' ALA . . . -71.98 -51.38 14.76 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.421 -1.371 . . . . 0.0 110.586 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' S' ' 79' ' ' ILE . 82.7 mt -73.73 28.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . 0.545 ' H ' ' C ' ' S' ' 78' ' ' GLY . . . -58.88 -102.55 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.651 -0.819 . . . . 0.0 112.092 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 81' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' S' ' 81' ' ' THR . 0.9 OUTLIER -106.95 12.15 29.08 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . 0.405 ' CG1' ' N ' ' S' ' 83' ' ' THR . 1.4 pt -63.87 -34.27 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 118.02 -1.472 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' S' ' 82' ' ' ILE . 25.3 m -105.04 -51.51 3.02 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.754 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -54.39 -68.71 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.04 -93.29 1.6 Allowed Glycine 0 N--CA 1.49 2.261 0 C-N-CA 119.397 -1.382 . . . . 0.0 110.353 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -139.82 -56.78 0.56 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.35 113.14 6.37 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.244 -0.983 . . . . 0.0 111.72 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 38.4 t -160.92 106.77 1.42 Allowed 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . 0.409 ' CG ' ' H ' ' S' ' 90' ' ' LYS . 0.1 OUTLIER -94.71 -98.65 0.16 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.59 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.409 ' H ' ' CG ' ' S' ' 89' ' ' LEU . 0.6 OUTLIER -127.54 28.76 5.61 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.016 -179.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.19 -4.01 3.48 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.501 -0.88 . . . . 0.0 111.656 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.545 ' N ' ' CD ' ' S' ' 93' ' ' PRO . . . -89.24 -44.68 0.43 Allowed Pre-proline 0 C--N 1.305 -1.355 0 C-N-CA 119.06 -1.056 . . . . 0.0 112.387 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' S' ' 92' ' ' ALA . 3.1 Cg_endo -72.97 -42.5 1.01 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.888 1.058 . . . . 0.0 111.147 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.98 -12.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.18 -1.008 . . . . 0.0 109.978 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' S' ' 93' ' ' PRO . 89.6 mt-10 -99.0 -19.88 17.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.791 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 28.8 tp -80.88 -52.26 7.67 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -43.69 -29.32 0.5 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.48 -62.5 1.61 Allowed 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.804 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' S' ' 102' ' ' GLU . 36.1 t90 -77.23 -55.95 4.98 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.735 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' S' ' 99' ' ' TRP . 2.7 tp -33.94 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.265 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' S' ' 99' ' ' TRP . 0.0 OUTLIER -63.38 -43.03 98.8 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.349 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.3 mt-10 -68.47 -33.33 73.97 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.7 p -85.84 -41.36 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 C-N-CA 118.107 -1.437 . . . . 0.0 113.917 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.38 -34.51 17.56 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.914 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.44 -43.99 9.92 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.71 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt 53.08 72.52 0.42 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 116.298 -1.81 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t 60.16 68.6 1.38 Allowed Pre-proline 0 N--CA 1.491 1.601 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.644 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -71.96 -10.16 25.74 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.627 1.551 . . . . 0.0 111.43 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -92.74 28.76 1.95 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.308 -0.957 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 11.4 p -173.64 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.214 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.49 139.4 38.13 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.53 113.56 21.87 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.495 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 11' ' ' MET . . . . . 0.438 ' O ' ' O ' ' R' ' 12' ' ' ALA . 19.0 mmm -60.69 117.05 4.88 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.604 -0.839 . . . . 0.0 111.75 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' R' ' 11' ' ' MET . . . 53.03 108.24 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.354 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -66.93 -3.55 7.3 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -112.25 31.14 6.49 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.73 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -95.67 30.57 2.28 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.211 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 40.16 35.89 0.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.936 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -88.82 -19.55 25.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -103.88 -42.39 5.6 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.494 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 24.2 t-105 -49.25 -13.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -114.42 -66.05 1.13 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.317 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -36.66 -45.16 0.5 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . 0.41 ' C ' ' N ' ' R' ' 24' ' ' ASP . 55.0 m-85 -81.76 -45.69 15.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.511 -1.276 . . . . 0.0 111.049 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 t -55.32 -15.96 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.257 -1.377 . . . . 0.0 109.018 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' R' ' 22' ' ' PHE . 79.6 m-20 -80.03 -25.2 40.28 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.822 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -81.25 -21.05 39.72 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -48.02 81.14 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.48 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . 0.428 ' CB ' ' HZ1' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -63.09 -37.71 88.29 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.453 -1.299 . . . . 0.0 110.187 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.76 -52.98 16.68 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.346 -1.341 . . . . 0.0 110.03 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.43 95.21 Favored 'General case' 0 C--N 1.305 -1.37 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.5 m-85 -51.63 -68.62 0.15 Allowed 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 116.986 -1.886 . . . . 0.0 109.518 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.1 OUTLIER 11.02 -69.34 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 126.864 2.602 . . . . 0.0 110.633 -179.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.7 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -96.07 -91.54 0.23 Allowed 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -151.51 23.37 0.71 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.9 15.62 2.19 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.504 -1.278 . . . . 0.0 113.914 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.745 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 6.7 p-80 -92.59 -34.36 14.05 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.001 -1.48 . . . . 0.0 111.007 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.2 -49.17 83.09 Favored Pre-proline 0 N--CA 1.489 1.511 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -58.77 -64.55 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 CA-C-N 118.829 0.618 . . . . 0.0 112.198 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' R' ' 39' ' ' LEU . 1.1 pp -61.15 -31.07 70.8 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.674 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 36.4 tp -64.56 -34.65 78.73 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.471 -1.292 . . . . 0.0 109.346 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' R' ' 43' ' ' LEU . 2.2 m120 -72.96 -35.06 66.85 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.315 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' R' ' 41' ' ' LEU . 0.0 OUTLIER -45.27 -26.04 0.46 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 42' ' ' MET . . . . . 0.418 ' C ' ' H ' ' R' ' 44' ' ' THR . 0.0 OUTLIER -102.65 41.25 1.26 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.822 0.82 . . . . 0.0 109.227 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' R' ' 40' ' ' ASN . 2.9 mt -69.51 11.47 0.25 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.653 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.418 ' H ' ' C ' ' R' ' 42' ' ' MET . 3.1 p -54.13 147.08 27.38 Favored Pre-proline 0 C--N 1.3 -1.553 0 C-N-CA 118.294 -1.362 . . . . 0.0 110.14 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.82 -28.15 75.31 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.33 1.354 . . . . 0.0 111.708 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -60.13 -52.66 64.4 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 5.3 mm-40 -60.17 -36.01 76.65 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -59.37 4.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.526 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.76 -21.34 10.75 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.5 -24.86 25.4 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 1.4 tm? -70.36 -75.73 0.11 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.413 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' R' ' 51' ' ' LEU . . . -37.59 -45.64 1.44 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.947 -1.121 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 53' ' ' THR . . . . . 0.611 ' HG1' ' H ' ' R' ' 54' ' ' ARG . 13.9 p -61.49 -60.85 3.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.972 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . 0.611 ' H ' ' HG1' ' R' ' 53' ' ' THR . 37.9 ttm180 -37.54 -27.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' R' ' 53' ' ' THR . 12.6 t -85.9 -35.51 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 119.228 -0.989 . . . . 0.0 111.958 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' R' ' 53' ' ' THR . 5.5 mmt85 -54.93 -47.3 74.61 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.975 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.0 OUTLIER -53.47 -72.39 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.99 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.7 t -40.5 -53.28 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.764 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -45.76 -39.05 7.7 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' R' ' 57' ' ' ILE . 2.1 tp10 -68.61 -52.29 33.14 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.803 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -45.56 -23.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -41.35 -52.29 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.444 -0.903 . . . . 0.0 111.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -126.46 14.51 7.66 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.19 17.38 58.97 Favored Glycine 0 N--CA 1.493 2.447 0 C-N-CA 119.406 -1.378 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.07 11.27 12.07 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 66' ' ' MET . . . . . 0.529 ' SD ' ' N ' ' R' ' 66' ' ' MET . 0.2 OUTLIER -91.61 -61.78 1.57 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.575 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -148.8 167.72 24.87 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.538 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.65 -47.75 84.4 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.51 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -64.59 -18.36 64.82 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 112.169 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' R' ' 70' ' ' GLU . 0.3 OUTLIER -75.49 -35.6 60.79 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.826 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -46.78 -76.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.505 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 120.95 21.11 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.768 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . 0.531 ' CG ' ' H ' ' R' ' 74' ' ' GLU . 9.6 p30 -81.96 -94.04 0.05 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.865 -1.134 . . . . 0.0 111.942 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . 0.531 ' H ' ' CG ' ' R' ' 73' ' ' ASN . 5.8 pt-20 -157.74 32.92 0.26 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.482 -1.287 . . . . 0.0 112.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.04 -34.11 76.97 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.222 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.44 -57.49 0.39 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.533 -1.318 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.11 -124.01 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.04 -20.9 36.99 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 119.456 -1.354 . . . . 0.0 110.655 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.8 -31.21 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.446 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.08 -39.26 41.9 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.447 -0.901 . . . . 0.0 111.464 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -33.87 40.97 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.733 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.77 23.08 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 119.046 -1.061 . . . . 0.0 111.193 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 11.8 t -103.29 14.09 32.35 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -48.11 32.65 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.8 168.19 24.36 Favored Glycine 0 N--CA 1.488 2.104 0 C-N-CA 118.979 -1.581 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -157.75 4.19 0.12 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.244 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -113.15 40.83 2.24 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.145 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 17.4 m 56.03 76.28 0.29 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 15.9 tp -87.23 -71.14 0.57 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.456 -0.897 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' R' ' 90' ' ' LYS . 0.0 OUTLIER -82.27 -19.72 38.98 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.638 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' R' ' 92' ' ' ALA . . . 167.86 -71.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.515 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' R' ' 91' ' ' ALA . . . 167.25 149.2 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.746 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' R' ' 95' ' ' GLU . 5.3 Cg_endo -65.11 -33.65 49.29 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 121.058 1.172 . . . . 0.0 111.099 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.77 -24.69 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' R' ' 93' ' ' PRO . 9.3 mm-40 -67.07 -38.54 85.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.414 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' R' ' 98' ' ' GLN . 17.9 tp -71.15 -46.43 61.49 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.745 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -43.52 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.477 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' R' ' 96' ' ' LEU . 38.3 mm-40 -54.5 -58.43 7.48 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -88.34 -51.67 5.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 118.454 -1.298 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 tp -46.02 -22.66 0.23 Allowed 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' R' ' 101' ' ' GLU . 16.2 tt0 -71.33 -4.23 24.93 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.294 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.81 -28.01 7.23 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.624 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 0.3 OUTLIER -86.75 -45.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . 0.441 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 48.9 mt -87.53 -62.44 1.5 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 118.296 -1.361 . . . . 0.0 112.113 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' R' ' 104' ' ' LEU . 3.1 tp -38.68 -64.77 0.41 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.754 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -84.41 109.58 17.98 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.244 -0.983 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 116.373 -1.775 . . . . 0.0 110.688 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.486 1.371 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.53 161.27 77.1 Favored Pre-proline 0 C--N 1.304 -1.378 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -5.49 5.54 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 121.778 1.652 . . . . 0.0 111.844 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -64.69 0.75 Allowed 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -173.01 97.15 0.12 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.49 63.85 0.12 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 -77.84 0.09 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 11' ' ' MET . . . . . 0.551 ' C ' ' H ' ' S' ' 13' ' ' GLU . 3.1 ptm -162.43 36.02 0.11 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.762 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 1.54 0.13 Allowed 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' S' ' 11' ' ' MET . 1.1 tp10 -85.42 85.83 7.41 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.514 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -132.21 63.98 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.64 44.79 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' S' ' 16' ' ' HIS . 0.5 OUTLIER -179.96 -3.54 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.832 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -99.38 -40.03 8.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.423 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' S' ' 19' ' ' TRP . 2.2 mm-40 -96.96 -31.75 12.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.828 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . 0.431 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 63.3 t-105 -38.16 -46.58 1.06 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.395 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.92 -54.47 5.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -49.71 3.87 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' S' ' 25' ' ' LEU . 42.7 t80 -82.47 -66.03 0.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 11.9 m -34.95 -39.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.994 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.409 ' N ' ' CG2' ' S' ' 23' ' ' VAL . 0.2 OUTLIER -58.55 -44.01 89.5 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.968 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' S' ' 22' ' ' PHE . 39.7 mt -63.93 -39.98 95.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.178 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.81 -39.04 62.07 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 118.969 -1.093 . . . . 0.0 110.051 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -67.62 -28.69 67.95 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.782 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -66.55 -45.71 78.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.052 -1.059 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.46 93.58 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.622 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -47.04 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.714 -0.795 . . . . 0.0 110.461 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.563 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.6 tt0 -15.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.213 1.571 . . . . 0.0 113.393 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' S' ' 34' ' ' LEU . 29.9 m120 -73.38 33.85 0.08 Allowed 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.1 OUTLIER 32.39 28.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.754 0.787 . . . . 0.0 111.244 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.6 OUTLIER -93.25 14.05 19.4 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.766 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.766 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 5.0 p-80 -97.96 4.53 49.42 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.973 -1.012 . . . . 0.0 113.381 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 -52.28 39.24 Favored Pre-proline 0 C--N 1.298 -1.647 0 C-N-CA 117.081 -1.848 . . . . 0.0 111.767 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' S' ' 40' ' ' ASN . 5.1 Cg_exo -63.12 -67.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.054 0 N-CA-C 110.322 -0.684 . . . . 0.0 110.322 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.6 OUTLIER -44.62 -52.43 8.15 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.05 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 63.1 tp -47.67 -38.38 14.82 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 118.306 -1.358 . . . . 0.0 109.834 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -81.57 -20.66 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.99 -34.1 67.79 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 46.97 1.43 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.98 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' S' ' 44' ' ' THR . 5.2 mt -81.92 -80.06 0.16 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.19 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.538 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.0 OUTLIER 46.53 171.63 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.438 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -75.73 -42.92 0.38 Allowed 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 120.904 1.069 . . . . 0.0 112.175 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -55.25 -60.91 2.74 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.129 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.83 -25.72 65.7 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.32 -0.952 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -57.09 -46.25 82.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.743 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' S' ' 49' ' ' GLU . 14.1 tt0 -84.57 4.07 33.81 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.16 -24.82 13.55 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' S' ' 52' ' ' GLY . 4.0 pp -63.68 -51.5 64.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.389 -1.325 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . 0.576 ' N ' ' CD1' ' S' ' 51' ' ' LEU . . . -56.58 -50.15 64.98 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 118.908 -1.615 . . . . 0.0 109.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 53' ' ' THR . . . . . 0.478 ' H ' ' HG1' ' S' ' 53' ' ' THR . 2.3 m -57.41 -58.64 7.38 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.363 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -44.87 -23.8 0.16 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.741 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 76.2 t -91.29 -35.7 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 119.042 -1.063 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' S' ' 57' ' ' ILE . 3.2 mtm-85 -58.57 -47.86 82.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.296 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.2 OUTLIER -45.09 -76.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 119.134 -1.026 . . . . 0.0 109.394 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' S' ' 57' ' ' ILE . 33.3 t -29.91 -58.01 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 124.239 0.962 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.28 -69.19 0.19 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.723 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.5 -9.52 49.59 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' S' ' 61' ' ' LEU . 0.5 OUTLIER -83.04 -38.03 23.12 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.515 -1.674 . . . . 0.0 110.684 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 tp -82.12 -24.12 35.3 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.148 -1.421 . . . . 0.0 110.785 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' S' ' 63' ' ' ARG . 8.6 ttp180 -92.65 -5.79 50.71 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.95 -30.98 67.31 Favored Glycine 0 N--CA 1.49 2.291 0 C-N-CA 119.306 -1.426 . . . . 0.0 109.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -44.18 -43.95 7.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -46.23 9.07 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.8 98.23 10.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.082 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -85.8 -63.2 1.36 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.757 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . 0.494 ' O ' ' NZ ' ' S' ' 72' ' ' LYS . 1.3 mtt-85 -53.99 -42.18 68.73 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.731 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -81.26 44.62 0.79 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.37 -0.932 . . . . 0.0 111.942 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 -53.19 14.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.951 -1.1 . . . . 0.0 110.641 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' S' ' 69' ' ' ARG . 0.0 OUTLIER -92.14 70.08 5.32 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.97 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -88.97 17.62 5.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.236 -0.986 . . . . 0.0 111.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -72.73 -83.01 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.319 -0.952 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.53 -32.58 1.93 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.432 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.18 -25.73 0.35 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.204 -1.474 . . . . 0.0 110.698 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.55 -168.99 2.2 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.662 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.83 29.77 31.0 Favored Glycine 0 N--CA 1.487 2.095 0 C-N-CA 119.386 -1.387 . . . . 0.0 110.272 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -5.49 10.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.981 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' S' ' 84' ' ' ARG . . . -81.07 -56.63 3.97 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -23.1 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.658 -0.817 . . . . 0.0 111.568 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 45.0 mt -92.03 -67.58 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.433 ' O ' ' C ' ' S' ' 84' ' ' ARG . 98.5 m -92.23 31.97 1.23 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' S' ' 80' ' ' ALA . 0.4 OUTLIER -34.48 -63.08 0.31 Allowed 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.607 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.17 145.97 10.75 Favored Glycine 0 N--CA 1.489 2.177 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 5.0 t -56.46 -69.12 0.16 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.739 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 42.2 35.25 0.57 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.532 -0.867 . . . . 0.0 111.015 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -166.56 76.18 0.19 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.68 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.95 20.21 15.89 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.45 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -101.34 -76.14 0.57 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.762 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . 169.21 48.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.84 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.564 ' N ' ' CD ' ' S' ' 93' ' ' PRO . . . -74.52 -43.28 5.38 Favored Pre-proline 0 C--N 1.304 -1.391 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.125 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' S' ' 92' ' ' ALA . 3.3 Cg_endo -72.01 -15.77 29.13 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.205 1.27 . . . . 0.0 111.967 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.17 -14.9 11.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.29 -11.0 42.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.817 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -45.88 9.8 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -25.16 2.4 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.178 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -63.72 0.95 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.245 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' S' ' 100' ' ' LEU . 34.9 t90 -83.46 -60.12 2.23 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.787 -1.165 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' S' ' 99' ' ' TRP . 1.5 tp -30.26 -53.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.484 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.14 -48.94 78.7 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.598 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.42 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.8 -0.76 . . . . 0.0 112.87 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.43 -22.91 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 119.176 -1.01 . . . . 0.0 112.996 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -39.07 8.21 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.056 -1.057 . . . . 0.0 112.374 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -49.38 -37.43 25.0 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.781 -1.168 . . . . 0.0 111.564 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -76.7 144.49 39.32 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 116.297 -1.811 . . . . 0.0 110.615 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.865 0.364 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 53.99 68.9 2.46 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 119.554 -0.858 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' R' ' 7' ' ' TYR . 4.3 Cg_exo -63.14 141.08 81.53 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.672 1.581 . . . . 0.0 111.4 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' R' ' 7' ' ' TYR . 0.1 OUTLIER 56.12 174.54 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.684 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.28 103.3 0.74 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.776 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.2 -63.0 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.44 156.37 24.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 42.0 mtm -132.35 15.36 4.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.9 86.1 2.33 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.724 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -158.15 51.58 0.42 Allowed 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.324 -0.95 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -148.92 24.84 0.94 Allowed 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' R' ' 17' ' ' GLN . 5.6 ptt180 -160.14 169.54 23.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.19 -1.004 . . . . 0.0 110.947 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' R' ' 15' ' ' ARG . 3.6 t60 75.32 -28.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . 0.482 ' H ' ' C ' ' R' ' 15' ' ' ARG . 4.3 pt20 -89.07 -20.19 24.66 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.019 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' R' ' 20' ' ' LEU . 3.8 pt-20 -106.04 -36.95 6.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.638 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.454 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.4 t-105 -48.48 -10.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.387 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' R' ' 18' ' ' GLU . 34.3 mt -112.7 -53.2 2.73 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -58.24 9.05 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -48.24 24.26 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.852 -1.139 . . . . 0.0 113.914 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 t -48.65 -39.68 10.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.477 -1.289 . . . . 0.0 111.787 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -28.1 69.19 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.74 -33.05 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.577 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.86 -45.78 64.2 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.316 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -62.69 -26.96 68.92 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -54.49 37.1 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.125 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.48 21.31 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.492 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' R' ' 32' ' ' ASN . 9.8 m-85 -46.93 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.866 -1.534 . . . . 0.0 110.449 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.0 OUTLIER 1.5 -68.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.767 2.542 . . . . 0.0 112.256 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.4 m-80 -76.34 -98.46 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.509 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.972 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.07 23.8 0.49 Allowed 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 3.2 mm? -89.83 10.34 24.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 6.4 p-80 -67.96 -53.22 27.79 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.019 -1.872 . . . . 0.0 110.168 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.3 mm? -26.7 -63.01 0.16 Allowed Pre-proline 0 N--CA 1.506 2.335 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 4.7 Cg_endo -53.01 -90.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 120.922 1.081 . . . . 0.0 113.262 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' R' ' 39' ' ' LEU . 0.6 OUTLIER -48.15 -46.33 34.33 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 119.1 -1.04 . . . . 0.0 111.619 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' R' ' 38' ' ' LEU . 40.0 tp -35.49 -46.21 0.38 Allowed 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.661 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' R' ' 42' ' ' MET . 12.0 t-20 -71.49 -43.44 66.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.536 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' R' ' 38' ' ' LEU . 3.6 tp -67.95 4.56 1.14 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.555 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 42' ' ' MET . . . . . 0.491 ' H ' ' C ' ' R' ' 40' ' ' ASN . 1.1 tmt? -106.67 -35.77 6.92 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.135 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' R' ' 44' ' ' THR . 12.7 mt -101.01 -32.1 10.78 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.473 -0.891 . . . . 0.0 112.766 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.503 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER 56.05 156.58 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.542 -0.863 . . . . 0.0 108.783 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -40.85 -61.46 0.48 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.605 1.536 . . . . 0.0 113.039 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.13 -58.29 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.11 -9.47 56.62 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 118.689 -1.205 . . . . 0.0 111.948 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -66.76 -64.74 0.79 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 117.729 -1.588 . . . . 0.0 109.683 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.9 -24.68 3.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.6 81.44 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.9 -36.21 7.3 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.072 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.27 58.25 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 9.5 m -50.62 -24.65 3.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' R' ' 56' ' ' ARG . 0.0 OUTLIER -72.92 -66.37 0.68 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.314 -0.954 . . . . 0.0 109.181 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 88.1 t -45.85 -15.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 C-N-CA 119.254 -0.979 . . . . 0.0 110.732 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' R' ' 54' ' ' ARG . 0.0 OUTLIER -67.69 -49.17 64.08 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.688 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -62.71 -76.59 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 118.536 -1.266 . . . . 0.0 110.073 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.6 m -35.39 -46.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.493 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.91 -45.68 89.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.024 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.6 -30.38 62.96 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.733 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' R' ' 63' ' ' ARG . 13.1 mt -70.22 -19.33 63.16 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.124 -1.031 . . . . 0.0 111.386 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.33 -26.03 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.566 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' R' ' 61' ' ' LEU . 6.3 mmt180 -78.79 -92.24 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.643 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.91 -101.32 1.17 Allowed Glycine 0 N--CA 1.496 2.695 0 C-N-CA 119.77 -1.205 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -178.3 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 2.9 mmt -70.47 -90.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -179.27 58.55 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.684 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.77 -66.83 0.48 Allowed 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.399 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -96.78 -92.17 0.23 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.762 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -137.49 70.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.838 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 27.7 mt -103.95 7.8 36.73 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.731 -0.787 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -160.36 51.62 0.3 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.561 -0.856 . . . . 0.0 110.636 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -91.99 24.95 3.0 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.731 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' R' ' 75' ' ' LEU . 3.9 tt0 46.01 65.53 1.15 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.966 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' R' ' 74' ' ' GLU . 5.5 mt -36.5 -72.17 0.06 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.769 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.89 -2.03 5.15 Favored Glycine 0 N--CA 1.494 2.506 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.203 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.46 -20.7 13.17 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.33 131.05 1.18 Allowed Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.96 -27.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.437 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.56 -100.42 0.08 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.49 10.31 8.51 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.819 -0.753 . . . . 0.0 112.663 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . 0.405 ' C ' ' H ' ' R' ' 84' ' ' ARG . 57.6 mt -54.02 -28.45 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 117.736 -1.586 . . . . 0.0 109.501 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 83' ' ' THR . . . . . 0.507 ' O ' ' C ' ' R' ' 84' ' ' ARG . 7.3 m -87.18 24.07 1.66 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.514 -0.875 . . . . 0.0 109.299 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.507 ' C ' ' O ' ' R' ' 83' ' ' THR . 0.4 OUTLIER -4.61 -69.54 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.818 1.323 . . . . 0.0 113.454 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.65 78.22 0.09 OUTLIER Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.473 -1.346 . . . . 0.0 110.732 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 86' ' ' SER . . . . . 0.415 ' N ' ' O ' ' R' ' 84' ' ' ARG . 3.7 m -103.29 -27.44 12.47 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -132.05 -86.46 0.47 Allowed 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 1.3 p -169.71 59.97 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' R' ' 91' ' ' ALA . 1.0 OUTLIER -113.84 3.01 15.3 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.787 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -76.81 25.53 0.14 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' R' ' 89' ' ' LEU . . . -73.53 -25.97 60.65 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.408 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.88 64.37 2.63 Favored Pre-proline 0 N--CA 1.489 1.477 0 C-N-CA 118.592 -1.243 . . . . 0.0 112.69 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -72.61 -29.88 12.63 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.539 1.492 . . . . 0.0 110.545 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.72 -21.7 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.31 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.51 -10.54 26.43 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.021 -1.072 . . . . 0.0 110.294 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' R' ' 98' ' ' GLN . 1.4 tt -94.05 -40.13 10.24 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.385 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . 0.445 ' CG ' HH11 ' R' ' 97' ' ' ARG . 4.0 mtp85 -54.11 -19.09 4.41 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.314 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' R' ' 96' ' ' LEU . 1.1 mm100 -47.0 -53.36 12.58 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -95.99 -53.98 3.48 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.103 -1.039 . . . . 0.0 112.144 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.42 -53.99 2.53 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -50.76 -22.47 2.14 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.373 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.99 -27.52 17.78 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.433 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.47 -42.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 118.488 -1.285 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.18 -51.07 8.83 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.518 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -4.82 11.33 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.471 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 48.1 -155.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.304 -1.391 0 CA-C-O 116.266 -1.826 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.49 163.31 0.32 Allowed Pre-proline 0 C--N 1.305 -1.361 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -58.65 -68.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.324 1.349 . . . . 0.0 111.333 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' S' ' 8' ' ' SER . 0.1 OUTLIER -90.13 -49.99 6.26 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.688 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 8' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' S' ' 7' ' ' TYR . 0.1 OUTLIER 169.2 149.78 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.329 -0.948 . . . . 0.0 111.167 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.84 -55.96 2.45 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.39 -128.69 0.1 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.472 -0.891 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 3.4 tpt -145.59 74.49 1.39 Allowed 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.474 -0.891 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' S' ' 13' ' ' GLU . . . -63.3 106.48 0.9 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.593 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' S' ' 12' ' ' ALA . 27.4 mt-10 -52.33 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 46.98 48.08 15.52 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . 0.448 ' CG ' ' H ' ' S' ' 16' ' ' HIS . 2.4 tpp180 -138.32 -159.26 0.94 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.448 ' H ' ' CG ' ' S' ' 15' ' ' ARG . 1.4 m-70 45.15 53.17 8.07 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -114.19 -45.45 3.05 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.77 -19.45 27.51 Favored 'General case' 0 C--N 1.307 -1.283 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -63.06 -23.08 67.28 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.9 -60.71 1.6 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.942 -0.703 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm-85 -58.07 -41.88 84.35 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -44.34 14.34 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.429 -1.309 . . . . 0.0 112.677 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.15 -30.93 30.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 118.151 -1.42 . . . . 0.0 109.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.1 -22.24 62.53 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.304 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.26 -36.66 26.9 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.435 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.16 -43.17 70.39 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.065 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -22.75 66.78 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -57.99 5.94 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 118.561 -1.255 . . . . 0.0 110.207 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.61 63.77 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.408 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.724 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -45.18 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 118.679 -1.209 . . . . 0.0 110.602 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' S' ' 33' ' ' ASP . 7.7 mt-30 -16.02 -70.87 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 125.354 1.658 . . . . 0.0 112.954 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.624 ' N ' HD21 ' S' ' 32' ' ' ASN . 1.6 m120 -75.63 36.16 0.13 Allowed 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.152 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.724 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 30.06 30.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.214 0.946 . . . . 0.0 111.622 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.3 OUTLIER -96.28 15.42 21.16 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.83 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.699 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 16.2 p-80 -94.05 -10.84 32.16 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.882 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.471 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.0 mt -57.04 -44.85 99.94 Favored Pre-proline 0 C--N 1.296 -1.727 0 C-N-CA 117.538 -1.665 . . . . 0.0 113.094 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 2.2 Cg_endo -66.53 -58.68 0.15 Allowed 'Trans proline' 0 C--N 1.32 -0.926 0 C-N-CA 120.373 0.716 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 1.5 pp -60.23 -42.51 95.39 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.545 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' S' ' 38' ' ' LEU . 16.1 tp -48.73 -44.4 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 118.145 -1.422 . . . . 0.0 107.275 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.58 -33.95 34.85 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.03 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.65 -22.62 64.39 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mtm -104.03 -3.74 24.2 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.951 -0.7 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.7 OUTLIER -42.12 -66.75 0.32 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.022 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.473 ' O ' ' O ' ' S' ' 43' ' ' LEU . 7.3 m 56.37 119.65 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 123.646 0.591 . . . . 0.0 110.065 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -52.79 -60.51 0.7 Allowed 'Trans proline' 0 C--O 1.214 -0.681 0 C-N-CA 120.731 0.954 . . . . 0.0 113.026 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -42.3 -36.97 1.38 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.666 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.469 ' OE2' ' NH2' ' R' ' 54' ' ' ARG . 4.4 mm-40 -81.07 -38.13 27.86 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.389 -0.925 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -48.39 -54.4 14.15 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.967 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -63.26 -10.18 14.72 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.073 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -39.83 11.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.16 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -51.5 -55.69 17.5 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 118.781 -1.167 . . . . 0.0 111.59 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.36 -51.82 53.75 Favored Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -51.61 -58.36 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.918 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -53.5 -47.37 69.93 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -44.98 -35.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.646 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -45.06 89.26 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.429 -0.908 . . . . 0.0 113.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.57 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.3 pt -54.11 -56.51 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 118.349 -1.34 . . . . 0.0 112.209 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.57 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 0.7 OUTLIER -50.19 -43.33 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 118.268 -1.373 . . . . 0.0 110.687 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' S' ' 58' ' ' VAL . 52.0 mt-10 -71.87 -79.62 0.07 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.81 -1.156 . . . . 0.0 111.445 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -34.7 -37.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.455 ' C ' ' CD1' ' S' ' 61' ' ' LEU . 0.6 OUTLIER -73.84 -40.33 63.36 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.231 -1.387 . . . . 0.0 112.177 -179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' S' ' 64' ' ' GLY . 6.1 tt -77.87 -49.02 15.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 118.499 -1.281 . . . . 0.0 111.949 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . 0.45 ' O ' ' OG ' ' S' ' 67' ' ' SER . 0.1 OUTLIER -74.25 22.4 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.795 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -60.19 -21.83 57.21 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.54 -1.315 . . . . 0.0 111.217 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -82.17 -49.03 10.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 36.3 mtt -65.31 -55.7 16.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 67' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' S' ' 63' ' ' ARG . 2.3 p -43.46 151.93 0.16 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.269 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.07 -73.85 0.42 Allowed 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 119.564 -0.854 . . . . 0.0 112.58 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . 0.545 ' C ' ' H ' ' S' ' 71' ' ' LEU . 9.3 ttp180 -130.11 -9.23 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.744 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' S' ' 71' ' ' LEU . 0.9 OUTLIER -55.03 -1.36 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.37 -0.932 . . . . 0.0 111.782 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' S' ' 69' ' ' ARG . 10.5 mt -50.9 -178.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.251 -0.979 . . . . 0.0 110.671 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.07 75.4 0.08 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.561 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' S' ' 71' ' ' LEU . 0.2 OUTLIER -80.6 -85.74 0.09 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.175 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.14 48.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.653 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -54.16 43.15 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.9 -34.18 0.57 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.463 -1.351 . . . . 0.0 109.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.62 170.06 16.55 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.8 -43.77 2.73 Favored Glycine 0 N--CA 1.487 2.083 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 56.3 mt -67.93 -34.43 67.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -10.39 4.9 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 45.9 m -105.21 -32.8 8.47 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.17 -23.47 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.417 ' O ' ' C ' ' S' ' 84' ' ' ARG . 14.8 t -109.53 34.01 4.03 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.128 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -36.75 -45.98 0.57 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.579 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.88 -82.69 0.31 Allowed Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.795 -1.193 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 6.3 t -41.88 123.62 2.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.973 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.03 -65.71 0.5 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -164.77 158.8 17.93 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp -56.08 -78.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.521 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -76.16 -95.41 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -174.9 61.69 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.449 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . -145.49 61.87 8.12 Favored Pre-proline 0 N--CA 1.488 1.452 0 C-N-CA 118.773 -1.171 . . . . 0.0 112.618 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' S' ' 92' ' ' ALA . 14.0 Cg_endo -79.85 -40.74 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.083 0 C-N-CA 121.859 1.706 . . . . 0.0 111.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.01 -23.57 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.291 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.71 -6.51 8.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' S' ' 98' ' ' GLN . 13.9 tp -87.19 -60.5 1.96 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.445 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' S' ' 96' ' ' LEU . 7.6 mtt-85 -40.57 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.657 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' S' ' 96' ' ' LEU . 61.4 mm-40 -57.71 -57.47 12.61 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -79.43 -56.04 4.62 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.785 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.93 -29.36 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.29 -33.05 75.06 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.569 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.821 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -92.87 -27.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -113.65 -50.91 2.82 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 118.997 -1.081 . . . . 0.0 113.714 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' S' ' 107' ' ' SER . 3.6 tp -42.33 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.392 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.28 9.95 0.58 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 107' ' ' SER . . . . . 0.416 ' H ' ' C ' ' S' ' 105' ' ' LEU . 14.4 p . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 116.314 -1.803 . . . . 0.0 110.682 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.98 155.15 49.93 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -65.16 96.18 0.27 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 120.976 1.117 . . . . 0.0 111.392 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -84.77 126.39 33.38 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.947 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 25.4 m 50.42 -131.46 1.97 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.781 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.86 29.07 0.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.277 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.31 -163.97 0.5 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 1.1 mmt -79.87 125.36 29.61 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.259 -0.977 . . . . 0.0 110.485 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.54 25.27 0.52 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.095 -1.042 . . . . 0.0 111.586 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.82 -16.41 64.26 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.556 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.84 27.92 9.21 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.649 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . 0.633 ' HE ' ' NH2' ' S' ' 48' ' ' ARG . 0.5 OUTLIER -140.74 177.29 8.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.546 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 64.47 39.75 6.7 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -125.15 -78.42 0.6 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.8 OUTLIER -67.44 -37.03 82.37 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.538 -0.865 . . . . 0.0 111.486 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -41.94 -23.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.598 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' R' ' 18' ' ' GLU . 13.3 mt -90.66 -47.52 7.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.076 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -56.87 -30.64 64.04 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.284 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' R' ' 24' ' ' ASP . 9.8 t80 -69.61 -75.2 0.12 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.477 -1.289 . . . . 0.0 110.605 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 22' ' ' PHE . 16.4 m -38.67 -29.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.663 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . 0.488 ' O ' ' ND2' ' R' ' 28' ' ' ASN . 6.2 t70 -66.25 -59.19 3.97 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.299 -0.961 . . . . 0.0 109.734 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.04 -42.54 76.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.76 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.812 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -49.65 -15.07 0.14 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.859 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' R' ' 24' ' ' ASP . 1.0 OUTLIER -77.4 -55.42 5.41 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.599 -1.241 . . . . 0.0 109.775 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.88 -39.52 39.8 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.627 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.4 m-85 -50.38 -65.15 0.61 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 117.599 -1.64 . . . . 0.0 109.509 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' R' ' 30' ' ' TYR . 3.7 tp-100 7.28 -70.4 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 126.777 2.548 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' R' ' 30' ' ' TYR . 5.1 t-20 -86.52 -96.04 0.08 Allowed 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 117.921 -1.511 . . . . 0.0 107.742 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . 0.458 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 58.5 m-20 -150.83 24.56 0.76 Allowed 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.03 10.17 25.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 117.683 -1.607 . . . . 0.0 113.846 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.565 ' CG ' ' H ' ' R' ' 36' ' ' LEU . 12.8 p-80 -57.02 -56.59 19.8 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 117.675 -1.61 . . . . 0.0 110.86 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.565 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 4.4 mt -32.11 -64.83 0.22 Allowed Pre-proline 0 N--CA 1.504 2.27 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 3.9 Cg_exo -46.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.851 1.034 . . . . 0.0 113.163 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.1 OUTLIER -58.85 -41.6 87.35 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.911 -1.516 . . . . 0.0 109.882 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.446 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.0 tp -47.72 -32.24 5.6 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.322 -1.351 . . . . 0.0 108.668 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -88.34 -27.76 21.45 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.234 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -45.35 -52.91 9.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 50.62 1.33 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.903 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' R' ' 44' ' ' THR . 1.5 mt -59.09 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.477 ' O ' ' O ' ' R' ' 43' ' ' LEU . 1.7 p 56.2 152.78 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.511 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.14 -29.34 86.87 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 C-N-CA 120.769 0.979 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.16 -47.45 68.77 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.51 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.3 -47.12 45.32 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -49.6 -24.37 2.14 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -100.05 -49.24 4.37 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.046 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.64 68.11 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 3.1 tm? -66.55 -72.71 0.15 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.04 -36.96 5.39 Favored Glycine 0 N--CA 1.483 1.777 0 C-N-CA 119.214 -1.469 . . . . 0.0 109.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -73.03 -39.52 65.9 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -58.89 -24.96 62.91 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.01 -25.99 6.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.444 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -57.01 10.39 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.763 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.5 OUTLIER -49.61 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.81 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.439 ' H ' HG13 ' R' ' 57' ' ' ILE . 49.9 t -34.86 -60.13 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.769 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -44.36 -39.65 4.79 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' R' ' 57' ' ' ILE . 4.3 mt-10 -76.96 -48.55 17.75 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.24 -21.88 0.57 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' R' ' 64' ' ' GLY . 13.7 tp -44.1 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.356 -0.937 . . . . 0.0 110.384 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -71.75 11.56 0.49 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.472 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -64.3 -13.75 55.02 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.26 -49.66 63.63 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 4.9 mmt -53.99 -23.63 13.96 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.412 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t 44.16 51.69 7.24 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.574 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -65.87 -67.56 0.43 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.746 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -129.06 -27.09 2.53 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.412 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.04 16.89 6.25 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.251 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.05 112.63 17.38 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.393 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 44.98 88.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.19 -1.004 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.77 11.87 29.7 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . 0.484 ' CG ' ' H ' ' R' ' 75' ' ' LEU . 0.8 OUTLIER -168.64 -95.51 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.717 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . 0.484 ' H ' ' CG ' ' R' ' 74' ' ' GLU . 4.0 mt -90.88 -52.75 4.7 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' R' ' 78' ' ' GLY . . . 72.11 61.39 3.74 Favored Glycine 0 N--CA 1.492 2.409 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.2 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.45 38.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.417 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . 0.42 ' O ' ' OG1' ' R' ' 81' ' ' THR . . . 134.44 84.51 0.21 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.614 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 tp -60.95 -12.54 5.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.26 6.82 4.94 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 81' ' ' THR . . . . . 0.48 ' HG1' ' N ' ' R' ' 82' ' ' ILE . 33.6 p -121.3 -36.95 3.0 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.56 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . 0.48 ' N ' ' HG1' ' R' ' 81' ' ' THR . 3.3 mt -80.54 -39.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -97.4 20.8 11.03 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.777 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.48 72.7 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.61 106.14 0.01 OUTLIER Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.697 -1.239 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -72.17 -171.95 0.82 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.385 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.1 OUTLIER -50.46 -47.99 56.7 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.872 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 88' ' ' SER . . . . . 0.424 ' O ' ' O ' ' R' ' 87' ' ' ASN . 7.4 t 43.77 95.39 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.289 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.52 -55.8 1.41 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.58 -61.84 1.35 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.406 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.79 80.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.499 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . 0.606 ' N ' ' CD ' ' R' ' 93' ' ' PRO . . . -106.34 -38.24 0.17 Allowed Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' R' ' 92' ' ' ALA . 5.9 Cg_exo -64.79 -42.66 14.56 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.262 1.308 . . . . 0.0 112.742 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.06 -7.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.43 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' R' ' 93' ' ' PRO . 2.6 mt-10 -85.08 3.9 36.61 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.587 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.94 -49.54 4.74 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -48.62 -24.64 1.41 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.426 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -55.44 -63.83 1.04 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.299 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' R' ' 100' ' ' LEU . 31.2 t90 -72.51 -60.96 1.98 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.251 -1.38 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' R' ' 99' ' ' TRP . 0.1 OUTLIER -33.49 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.476 -1.238 . . . . 0.0 113.167 -179.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.03 -43.99 73.63 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.723 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.91 -42.96 76.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 2.2 p -72.65 -34.56 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.12 -0.76 46.48 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.867 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.2 -36.95 9.44 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.31 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -69.32 154.8 41.46 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.722 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 116.43 -1.747 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -159.17 71.72 3.48 Favored Pre-proline 0 N--CA 1.492 1.634 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.991 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -77.02 108.18 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.013 1.808 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -121.47 177.28 5.27 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.8 p -131.76 174.72 9.85 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.673 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.19 -9.76 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.32 104.34 2.76 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -69.83 -40.03 76.09 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.9 171.13 1.29 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -92.11 131.59 37.25 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -155.11 64.25 0.64 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.634 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -153.83 7.94 0.36 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.689 -1.205 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER -134.7 -8.18 2.45 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.339 -0.945 . . . . 0.0 111.328 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.63 -33.64 64.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.947 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.55 -25.09 16.98 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.813 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -46.46 -30.02 2.0 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.21 -27.02 6.99 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -51.14 34.12 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.723 -1.191 . . . . 0.0 111.142 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -78.08 -42.22 32.83 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 37.3 t -54.1 -34.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 118.889 -1.125 . . . . 0.0 109.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.67 -30.14 69.73 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 118.803 -1.159 . . . . 0.0 109.4 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.42 -23.82 46.47 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.77 -33.59 75.49 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 117.842 -1.543 . . . . 0.0 107.824 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -22.34 59.31 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.962 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . 0.483 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 6.7 m-80 -71.83 -37.08 70.36 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.246 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' S' ' 30' ' ' TYR . . . -73.0 -44.69 60.74 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 4.3 m-85 -45.82 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.75 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.539 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.0 OUTLIER -14.2 -65.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.556 1.785 . . . . 0.0 113.02 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.587 ' O ' ' N ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER -76.41 35.03 0.14 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.119 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 6.1 t0 31.23 28.61 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.533 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.7 mp -95.69 15.37 20.23 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.635 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 15.1 p-80 -88.57 -28.61 20.61 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.692 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.4 mt -36.92 -55.53 1.58 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.371 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -58.33 -66.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.317 -1.095 0 CA-C-N 118.699 0.571 . . . . 0.0 111.193 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -49.91 -32.18 14.03 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -61.58 -68.08 0.35 Allowed 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.703 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.59 -30.27 0.88 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.42 -41.37 6.17 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.716 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -123.97 64.86 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.4 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.576 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.0 OUTLIER -86.9 -46.53 9.81 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.405 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.576 ' O ' ' O ' ' S' ' 43' ' ' LEU . 3.5 p 43.74 126.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.224 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -58.14 -25.94 73.68 Favored 'Trans proline' 0 C--O 1.219 -0.46 0 CA-C-N 118.852 0.626 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.9 -51.39 68.34 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' S' ' 46' ' ' ASP . 18.7 mt-10 -69.63 -23.63 63.53 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.493 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . 0.633 ' NH2' ' HE ' ' R' ' 15' ' ' ARG . 13.7 ttt85 -59.32 -49.21 78.68 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.783 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.25 -18.56 49.72 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 -10.26 25.59 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.614 -0.835 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -63.78 -77.47 0.05 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.928 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.51 -42.69 19.84 Favored Glycine 0 N--CA 1.481 1.648 0 C-N-CA 118.678 -1.725 . . . . 0.0 109.278 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -56.41 -32.77 65.15 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . 0.449 ' NE ' ' CZ ' ' R' ' 22' ' ' PHE . 12.2 ttp180 -67.94 -25.49 65.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.19 -27.99 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.373 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' S' ' 57' ' ' ILE . 1.6 mtm180 -68.45 -55.42 11.91 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' S' ' 56' ' ' ARG . 0.4 OUTLIER -40.99 -77.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.579 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.24 -61.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.55 -72.43 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.454 -0.898 . . . . 0.0 112.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -51.06 -35.92 37.21 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.57 -37.3 70.38 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' S' ' 64' ' ' GLY . 1.2 tt -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.261 -0.975 . . . . 0.0 112.09 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 2.11 0.67 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.889 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -90.57 25.66 12.61 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.321 -1.419 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -79.5 19.96 0.59 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.501 -0.88 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -15.62 61.03 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t 176.4 148.33 0.11 Allowed 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -84.26 -65.55 1.0 Allowed 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.736 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . 0.487 ' O ' ' ND2' ' S' ' 73' ' ' ASN . 36.3 mtt180 -58.01 -45.71 86.43 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.595 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -77.07 24.03 0.17 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.994 -1.083 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' S' ' 69' ' ' ARG . 21.2 tp -93.89 133.57 37.17 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.525 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' S' ' 71' ' ' LEU . 44.5 tttt 70.21 8.02 6.47 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.795 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' S' ' 69' ' ' ARG . 10.9 m-80 -90.97 -78.88 0.38 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.11 66.9 0.11 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.4 -42.83 5.85 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.7 66.15 0.9 Allowed Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.37 24.77 1.4 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.659 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.28 61.27 0.08 OUTLIER Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pt -94.74 25.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.82 -92.07 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 81' ' ' THR . . . . . 0.427 ' C ' ' H ' ' S' ' 83' ' ' THR . 16.2 p -125.67 -7.41 6.8 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.572 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 pp -64.16 -2.14 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.427 ' H ' ' C ' ' S' ' 81' ' ' THR . 5.6 t -91.63 18.32 7.64 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' S' ' 85' ' ' GLY . 9.3 tmm_? -59.28 -65.85 0.6 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' S' ' 84' ' ' ARG . . . 45.71 -171.22 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.471 -1.347 . . . . 0.0 110.679 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 86' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' S' ' 87' ' ' ASN . 0.9 OUTLIER -166.47 -51.36 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.434 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' S' ' 86' ' ' SER . 0.8 OUTLIER -179.54 164.08 1.26 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.248 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.8 146.24 0.32 Allowed 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.05 -72.77 0.18 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -117.57 -18.66 9.68 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.555 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.29 96.57 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.731 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.1 77.23 71.64 Favored Pre-proline 0 N--CA 1.493 1.714 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.749 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.466 ' C ' ' N ' ' S' ' 95' ' ' GLU . 10.8 Cg_endo -78.38 4.3 6.42 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.813 1.675 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t -46.04 -19.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.032 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' S' ' 93' ' ' PRO . 2.5 mt-10 -76.27 -35.87 58.71 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.528 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' S' ' 93' ' ' PRO . 0.9 OUTLIER -66.52 -42.88 86.59 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.522 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -50.35 -25.89 4.32 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.551 -0.86 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -59.82 -63.8 1.17 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.557 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.1 t90 -66.57 -64.94 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.339 -1.345 . . . . 0.0 109.965 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -23.47 -54.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.56 1.163 . . . . 0.0 112.326 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.57 -45.82 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.821 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' S' ' 99' ' ' TRP . 35.5 mm-40 -73.1 -12.25 60.83 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.71 -36.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 118.75 -1.18 . . . . 0.0 113.511 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.8 mt -104.77 -82.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.183 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -43.71 -61.19 1.49 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.437 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm 51.45 82.66 0.06 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.109 -1.037 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.305 -1.367 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.92 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.57 164.87 32.07 Favored Pre-proline 0 N--CA 1.487 1.418 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -56.12 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.321 1.347 . . . . 0.0 111.28 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.82 -67.99 0.7 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.452 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.91 108.19 2.61 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.056 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 126.89 20.06 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.51 -81.29 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.271 -0.971 . . . . 0.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtp -144.73 167.03 23.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.496 -0.882 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.7 66.12 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.389 -0.925 . . . . 0.0 110.798 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 95.2 7.13 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -126.26 175.66 7.65 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . 0.501 ' NH1' ' OE2' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -55.06 179.97 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.206 -0.998 . . . . 0.0 110.455 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' R' ' 15' ' ' ARG . 2.1 t-80 73.66 -42.92 0.53 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' R' ' 15' ' ' ARG . 7.1 tt0 -50.49 -19.58 0.91 Allowed 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.555 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' R' ' 16' ' ' HIS . 2.0 tt0 -93.01 -28.88 16.13 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.381 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' R' ' 16' ' ' HIS . 75.6 t-105 -61.51 -5.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.732 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' R' ' 18' ' ' GLU . 91.3 mt -118.78 -48.13 2.48 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.311 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -53.7 55.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.72 -38.03 55.01 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.988 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.89 -26.39 24.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.551 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.84 -14.34 62.37 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.103 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.04 -39.93 11.36 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -47.07 -31.42 3.36 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -72.94 -44.76 60.78 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.983 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . 0.408 ' N ' HD21 ' R' ' 28' ' ' ASN . 1.1 m-80 -47.8 -44.23 28.49 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.005 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -67.71 -59.68 3.14 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.712 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -36.96 -67.32 0.18 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.7 tt0 8.95 -67.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 126.929 2.643 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.712 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.5 t-20 -98.16 -90.48 0.28 Allowed 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -153.66 25.44 0.51 Allowed 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.51 18.01 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -100.12 -27.72 13.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.041 -1.063 . . . . 0.0 110.693 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.411 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 1.1 mt -51.25 -48.98 84.3 Favored Pre-proline 0 N--CA 1.488 1.434 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 6.2 Cg_endo -68.06 -58.64 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 120.013 0.475 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.479 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -55.78 -33.37 64.29 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.121 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.3 tp -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.42 -1.312 . . . . 0.0 108.367 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -74.4 -20.31 60.1 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.503 ' O ' ' NH1' ' S' ' 84' ' ' ARG . 61.7 tp -47.39 -57.12 5.66 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.182 -1.007 . . . . 0.0 109.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 42' ' ' MET . . . . . 0.437 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -107.23 51.48 0.74 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.3 OUTLIER -73.02 8.3 1.65 Allowed 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.763 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.448 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 1.0 OUTLIER -42.34 154.3 0.28 Allowed Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.842 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.48 -19.09 27.76 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 121.182 1.255 . . . . 0.0 111.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.59 63.7 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.761 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' R' ' 44' ' ' THR . 17.0 mp0 -82.47 -37.6 25.13 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -48.06 -52.73 18.96 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -48.98 -22.77 0.93 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.677 -0.809 . . . . 0.0 111.299 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -99.4 -63.92 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.563 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' R' ' 50' ' ' ALA . 0.7 OUTLIER -30.53 -71.41 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 123.686 0.616 . . . . 0.0 111.815 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.76 -59.12 7.62 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.508 -1.33 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 15.23 1.22 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.421 -0.911 . . . . 0.0 112.253 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' R' ' 50' ' ' ALA . 15.8 ttt180 -106.81 -37.4 6.39 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -29.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.581 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -56.27 -48.04 77.39 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.846 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.494 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -50.9 -75.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.569 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' R' ' 57' ' ' ILE . 96.4 t -28.17 -50.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 124.338 1.024 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . 0.4 ' CG ' ' CE1' ' S' ' 22' ' ' PHE . 1.6 mm-40 -61.06 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.49 -48.29 2.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.463 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.84 -58.16 3.29 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' R' ' 64' ' ' GLY . 0.2 OUTLIER -68.64 -44.12 74.85 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.001 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.39 19.34 0.13 Allowed 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' R' ' 66' ' ' MET . . . -107.39 -56.88 0.6 Allowed Glycine 0 N--CA 1.496 2.692 0 C-N-CA 119.753 -1.213 . . . . 0.0 111.509 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -2.33 0.4 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.054 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 66' ' ' MET . . . . . 0.49 ' H ' ' C ' ' R' ' 64' ' ' GLY . 2.2 tpt -71.01 -17.78 62.62 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.17 -150.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.191 -1.004 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -68.62 -74.26 0.13 Allowed 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -127.98 -87.26 0.56 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.452 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 40.95 47.63 2.65 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.81 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.38 9.69 42.29 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.215 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -139.71 46.64 1.87 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.28 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -68.72 -38.19 80.04 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.44 -83.9 0.16 Allowed 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.254 -0.979 . . . . 0.0 111.538 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.08 -77.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.747 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 -49.34 0.93 Allowed Glycine 0 N--CA 1.497 2.726 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.593 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.4 169.59 17.01 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' R' ' 80' ' ' ALA . . . 84.95 16.24 65.69 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.582 -1.294 . . . . 0.0 110.677 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . 0.464 ' C ' ' H ' ' R' ' 81' ' ' THR . 9.5 tt -50.28 -8.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.879 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' R' ' 78' ' ' GLY . . . -59.27 -3.95 0.48 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.352 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 81' ' ' THR . . . . . 0.464 ' H ' ' C ' ' R' ' 79' ' ' ILE . 70.0 p -99.71 -36.72 9.38 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.38 -48.98 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.634 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 83' ' ' THR . . . . . 0.417 ' O ' ' O ' ' R' ' 84' ' ' ARG . 15.2 t -91.83 25.61 2.7 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.227 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' R' ' 85' ' ' GLY . 8.5 ttp180 -51.0 -98.11 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.092 -1.043 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' R' ' 84' ' ' ARG . . . 74.41 45.07 25.42 Favored Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.58 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -56.03 4.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.93 156.98 3.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 88' ' ' SER . . . . . 0.564 ' C ' ' H ' ' R' ' 90' ' ' LYS . 0.1 OUTLIER -84.82 -162.26 0.67 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.726 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.65 -4.45 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.498 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . 0.564 ' H ' ' C ' ' R' ' 88' ' ' SER . 23.0 mttm -49.98 -67.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.366 -0.934 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.81 -29.21 18.24 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.26 71.72 1.47 Allowed Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -63.08 -15.57 48.83 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.589 1.526 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.07 -14.68 12.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.592 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.63 -7.91 59.07 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.247 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -41.6 14.86 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.69 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -51.56 -25.62 7.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.9 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -48.05 -64.85 0.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . 0.407 ' O ' ' N ' ' R' ' 102' ' ' GLU . 32.4 t90 -76.39 -57.29 3.95 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.95 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.22 -29.96 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.654 -1.157 . . . . 0.0 113.009 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.05 -31.68 61.35 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.476 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' R' ' 99' ' ' TRP . 48.0 mt-10 -82.33 -17.78 44.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 10.8 p -97.83 -49.43 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . 0.488 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 5.1 mt -90.74 -29.94 17.35 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.425 -1.31 . . . . 0.0 112.904 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.56 27.71 0.27 Allowed 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.673 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' R' ' 104' ' ' LEU . 5.9 ptmm? -73.02 155.27 39.99 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 116.349 -1.786 . . . . 0.0 110.67 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . 0.413 ' H1 ' ' H ' ' S' ' 5' ' ' SER . 5.7 mt-30 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 5' ' ' SER . . . . . 0.413 ' H ' ' H1 ' ' S' ' 4' ' ' GLN . 88.0 p -141.02 67.67 27.36 Favored Pre-proline 0 N--CA 1.486 1.347 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -63.32 155.12 63.85 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.473 1.449 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -53.81 -78.2 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -148.49 147.96 29.69 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.26 126.44 12.17 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.536 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.73 94.61 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.354 -0.939 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 11' ' ' MET . . . . . 0.425 ' SD ' ' C ' ' S' ' 11' ' ' MET . 0.0 OUTLIER -157.33 30.86 0.28 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.87 -6.49 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -170.82 129.47 0.79 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -81.03 -115.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -135.2 100.78 4.64 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.702 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.516 ' C ' ' H ' ' S' ' 18' ' ' GLU . 0.4 OUTLIER -153.25 7.46 0.39 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.913 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.23 23.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' S' ' 16' ' ' HIS . 4.6 pt-20 -156.53 -42.09 0.07 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.708 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -48.09 -19.1 0.24 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.207 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' S' ' 18' ' ' GLU . 26.1 mt -125.07 -60.88 1.33 Allowed 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -38.9 0.37 Allowed 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.461 -1.245 . . . . 0.0 113.491 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' S' ' 23' ' ' VAL . 24.0 m-85 -113.87 -35.7 5.04 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.719 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' S' ' 22' ' ' PHE . 2.7 t -47.52 -27.96 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 118.185 -1.406 . . . . 0.0 108.607 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.94 87.23 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.251 -0.98 . . . . 0.0 108.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' S' ' 22' ' ' PHE . 16.9 mt -65.35 -28.93 69.64 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.533 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -54.82 -44.36 73.78 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.028 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.93 -62.17 1.98 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.676 -1.21 . . . . 0.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.64 -49.09 19.66 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.331 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.783 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.7 m-85 -49.87 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' S' ' 30' ' ' TYR . 53.6 tt0 -13.62 -68.48 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 125.4 1.688 . . . . 0.0 112.244 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 7.2 m120 -78.07 36.96 0.24 Allowed 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.783 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 31.89 27.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.878 0.736 . . . . 0.0 111.746 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.5 tp -96.55 13.44 28.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.807 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 2.5 p-80 -81.07 -27.7 35.59 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 118.337 -1.345 . . . . 0.0 111.332 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.7 mm? -34.69 -57.04 0.79 Allowed Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.829 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -49.63 -70.52 0.06 OUTLIER 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 120.636 0.891 . . . . 0.0 112.736 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -57.95 -40.02 79.5 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.3 OUTLIER -51.78 -61.78 2.04 Favored 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 118.059 -1.456 . . . . 0.0 108.063 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.49 -37.22 0.67 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.836 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.36 -42.14 14.5 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.57 -1.252 . . . . 0.0 109.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.96 33.41 3.05 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.666 -0.814 . . . . 0.0 112.891 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 3.99 1.86 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.235 -0.986 . . . . 0.0 111.758 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 44' ' ' THR . . . . . . . . . . . . . 47.3 p -45.55 148.62 1.2 Allowed Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.89 -21.51 20.96 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.916 1.078 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.39 -19.33 65.9 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.734 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 -43.64 4.08 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.779 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -53.17 -51.3 62.48 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' R' ' 15' ' ' ARG . 44.3 mm-40 -68.86 -38.51 79.78 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.365 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.28 77.95 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.646 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.98 -53.16 60.24 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.179 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.17 -39.15 2.92 Favored Glycine 0 N--CA 1.492 2.419 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -71.84 -52.37 17.8 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -48.49 -27.39 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.01 -47.7 22.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.766 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -50.48 -64.68 0.73 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.446 HG22 ' H ' ' S' ' 58' ' ' VAL . 1.0 OUTLIER -46.02 -56.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 C-N-CA 119.212 -0.995 . . . . 0.0 112.9 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.446 ' H ' HG22 ' S' ' 57' ' ' ILE . 99.7 t -49.43 -64.55 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 118.487 -1.285 . . . . 0.0 110.728 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.94 -58.38 7.86 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.73 -62.52 1.59 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' S' ' 61' ' ' LEU . 0.4 OUTLIER -46.21 -36.66 6.27 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.366 -0.933 . . . . 0.0 112.064 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . 0.4 ' C ' ' H ' ' S' ' 64' ' ' GLY . 0.6 OUTLIER -79.16 -57.81 3.54 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 118.402 -1.319 . . . . 0.0 110.536 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -8.14 2.16 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' S' ' 66' ' ' MET . . . -89.98 24.91 13.35 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 119.406 -1.378 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.74 13.88 0.24 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.375 -0.93 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 66' ' ' MET . . . . . 0.513 ' H ' ' C ' ' S' ' 64' ' ' GLY . 29.9 mtt -105.24 -66.56 0.97 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -133.19 85.01 2.18 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . 0.435 ' C ' ' H ' ' S' ' 70' ' ' GLU . 4.5 tt0 -55.82 -34.77 65.66 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.009 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -77.09 22.51 0.2 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.413 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' S' ' 68' ' ' GLN . 36.9 tt0 -145.11 -62.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.664 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.89 51.79 0.98 Allowed 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -170.81 -34.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.409 -0.916 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -96.83 -35.1 11.05 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -95.7 -99.51 0.17 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.97 -85.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.71 15.57 27.0 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.396 -1.383 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . 46.42 55.94 6.91 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.352 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.14 79.44 1.42 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' S' ' 80' ' ' ALA . 8.6 tp -40.14 -43.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . 0.488 ' N ' ' CG2' ' S' ' 79' ' ' ILE . . . 41.12 -126.89 0.51 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 81' ' ' THR . . . . . 0.459 ' C ' ' H ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -127.13 24.53 6.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.742 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 11.0 pt -66.91 4.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.828 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.459 ' H ' ' C ' ' S' ' 81' ' ' THR . 0.7 OUTLIER -100.97 15.99 26.78 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.7 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' R' ' 41' ' ' LEU . 29.6 ttt180 -48.09 -70.83 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 118.666 -1.213 . . . . 0.0 109.892 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.55 152.72 47.47 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.474 -1.346 . . . . 0.0 110.159 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.06 -69.21 0.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.296 -0.962 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.25 12.22 2.81 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.703 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.31 135.39 50.49 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.23 -6.98 57.87 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.748 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -65.47 -8.95 21.77 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.735 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.63 -34.24 15.52 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.478 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.52 142.19 38.37 Favored Pre-proline 0 N--CA 1.486 1.352 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.1 -166.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 120.955 1.104 . . . . 0.0 111.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.82 -26.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.39 -2.62 23.03 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.421 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.83 -56.37 4.74 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.304 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.42 -35.05 26.78 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.189 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.82 -53.19 60.37 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 32.0 t90 -67.97 -55.72 11.68 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.161 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 tp -42.33 -32.08 0.47 Allowed 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.741 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.54 -23.12 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.556 -0.858 . . . . 0.0 112.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.0 -26.35 20.38 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . 0.404 HG11 ' H ' ' S' ' 104' ' ' LEU . 1.5 p -89.86 -43.65 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 C-N-CA 118.643 -1.223 . . . . 0.0 113.544 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . 0.404 ' H ' HG11 ' S' ' 103' ' ' VAL . 96.4 mt -93.71 -67.11 0.87 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.018 -1.073 . . . . 0.0 112.153 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' S' ' 104' ' ' LEU . 0.2 OUTLIER -39.74 -58.64 1.3 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.595 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -67.47 107.7 2.55 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.303 -1.453 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.736 -179.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.68 164.89 14.57 Favored Pre-proline 0 C--N 1.304 -1.373 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.178 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.96 96.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.116 1.211 . . . . 0.0 110.787 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.94 -73.48 0.54 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 8' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' R' ' 9' ' ' ALA . 97.1 p -175.32 -48.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . 0.413 ' N ' ' OG ' ' R' ' 8' ' ' SER . . . -46.85 166.88 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.72 -7.72 0.23 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.551 -0.859 . . . . 0.0 110.737 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 12.5 mtt -95.42 121.6 37.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.04 -0.26 57.7 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.189 -1.005 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.29 105.2 15.79 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.533 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.44 -5.97 27.22 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 63.54 21.14 12.61 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.75 22.35 0.33 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.648 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.61 1.77 25.47 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' R' ' 20' ' ' LEU . 23.7 mm-40 -113.79 -41.13 3.63 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.06 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.504 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 42.6 t-105 -44.73 -10.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.426 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' R' ' 18' ' ' GLU . 20.1 mt -113.56 -73.55 0.66 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.678 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -37.57 -49.32 1.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.46 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.37 -49.42 19.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' R' ' 19' ' ' TRP . 98.7 t -54.38 -22.81 9.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.69 -36.25 75.8 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.38 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.43 -22.86 62.67 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.366 -0.933 . . . . 0.0 109.307 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tp -57.63 -50.44 73.15 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.73 -1.188 . . . . 0.0 110.33 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -20.81 64.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.476 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -64.54 -50.06 68.79 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.401 -1.319 . . . . 0.0 109.077 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -59.19 -51.98 67.67 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.735 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -43.07 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.438 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' R' ' 30' ' ' TYR . 22.0 tp60 3.82 -67.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.955 2.659 . . . . 0.0 111.41 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.1 m-20 -83.35 -95.56 0.06 Allowed 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 117.653 -1.619 . . . . 0.0 107.161 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.22 23.83 0.55 Allowed 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 2.9 mm? -88.59 10.06 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.7 p-80 -75.73 -37.75 59.11 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 117.014 -1.874 . . . . 0.0 110.774 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 35' ' ' HIS . 3.9 mt -34.4 -59.32 0.58 Allowed Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.45 -81.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 120.521 0.814 . . . . 0.0 112.386 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -52.18 -36.73 52.66 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.283 -1.367 . . . . 0.0 109.678 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.6 tp -57.57 -32.77 67.48 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.744 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' R' ' 42' ' ' MET . 5.8 m-20 -81.45 -15.95 53.51 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.083 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.44 -11.06 3.84 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 117.777 -1.569 . . . . 0.0 108.603 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 42' ' ' MET . . . . . 0.453 ' H ' ' C ' ' R' ' 40' ' ' ASN . 6.1 mmt -128.77 30.39 5.11 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.452 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.2 OUTLIER -74.99 5.98 4.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.509 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.438 ' C ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -40.23 160.02 0.13 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.521 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -52.43 -67.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.07 1.18 . . . . 0.0 111.613 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' R' ' 46' ' ' ASP . 0.0 OUTLIER -44.96 -36.2 3.26 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.393 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.62 -31.81 47.15 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.505 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -68.71 -61.55 1.76 Allowed 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.49 -3.19 1.31 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.821 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.52 -46.41 6.99 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.18 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.48 -57.5 3.06 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -51.62 -77.23 0.14 Allowed Glycine 0 N--CA 1.492 2.393 0 C-N-CA 119.981 -1.104 . . . . 0.0 112.185 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -20.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.469 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' R' ' 52' ' ' GLY . 0.3 OUTLIER -79.55 -72.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.837 -1.145 . . . . 0.0 111.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -14.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 118.317 -1.353 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' R' ' 54' ' ' ARG . 1.2 mmm-85 -71.35 -39.28 71.4 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.743 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 2.9 pt -58.97 -53.6 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 118.744 -1.182 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.555 ' N ' ' CG1' ' R' ' 57' ' ' ILE . 4.9 m -53.42 -45.1 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 118.341 -1.343 . . . . 0.0 109.934 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -66.65 0.43 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.186 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.48 -15.53 38.55 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.804 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.07 -28.4 43.11 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.512 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 tp -50.22 -48.03 54.61 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.678 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' R' ' 65' ' ' GLU . 33.1 ttp85 -77.35 -3.16 38.69 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.441 -0.904 . . . . 0.0 110.82 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.26 22.35 4.54 Favored Glycine 0 N--CA 1.49 2.296 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' R' ' 63' ' ' ARG . 33.3 mt-10 -56.24 -29.43 61.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.46 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 3.5 mmt -100.32 -90.33 0.32 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.22 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 10.7 t 55.85 51.87 11.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -76.75 -39.21 52.45 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.901 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -89.4 -89.94 0.14 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.544 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -165.96 91.69 0.48 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mt -111.01 13.53 22.02 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -112.35 -2.53 14.76 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.0 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -64.39 -85.42 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -149.98 77.09 1.31 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 27.4 tp -58.38 -29.92 66.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.634 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.25 41.18 7.11 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.295 -1.431 . . . . 0.0 109.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.68 40.46 0.39 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.628 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.29 8.6 58.63 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.479 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' R' ' 79' ' ' ILE . 1.7 mp -89.27 -0.38 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.733 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.89 0.62 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.721 -0.792 . . . . 0.0 112.071 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 81' ' ' THR . . . . . 0.43 ' H ' ' C ' ' R' ' 79' ' ' ILE . 26.6 p -130.53 -46.12 1.08 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 119.606 -0.838 . . . . 0.0 112.029 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . 0.407 ' C ' ' N ' ' R' ' 84' ' ' ARG . 2.2 pp -72.78 -1.61 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 119.434 -0.906 . . . . 0.0 112.224 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -25.22 0.17 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' R' ' 82' ' ' ILE . 13.1 ttt180 -54.05 -85.43 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.865 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.09 59.3 6.39 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.668 -1.253 . . . . 0.0 111.316 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -48.59 150.86 1.26 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.972 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -150.23 18.37 0.85 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.664 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 13.2 m -50.0 119.98 4.03 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.159 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -8.1 20.21 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.678 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -81.63 16.16 1.86 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.172 -1.011 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.55 6.55 2.99 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 40.99 61.88 6.95 Favored Pre-proline 0 N--CA 1.489 1.499 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.794 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' R' ' 95' ' ' GLU . 1.1 Cg_endo -62.99 -18.1 63.53 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.428 1.418 . . . . 0.0 110.885 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' R' ' 96' ' ' LEU . 60.5 t -48.49 -13.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' R' ' 93' ' ' PRO . 2.3 mm-40 -69.91 3.99 2.31 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.882 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' R' ' 94' ' ' VAL . 17.1 tp -97.62 -56.66 2.45 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -22.6 0.08 Allowed 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' R' ' 96' ' ' LEU . 18.9 mt-30 -52.81 -55.14 25.18 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' R' ' 102' ' ' GLU . 57.8 t90 -87.61 -54.19 4.4 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 tp -35.38 -38.13 0.1 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.036 -0.984 . . . . 0.0 113.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.13 -29.99 62.08 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.134 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.9 mm-40 -84.87 -18.18 35.63 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.628 -0.829 . . . . 0.0 113.073 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -96.42 -30.31 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.866 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' R' ' 106' ' ' LYS . 4.5 mt -105.8 -51.89 2.91 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.325 -0.95 . . . . 0.0 112.163 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.67 23.52 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . 0.562 ' H ' ' C ' ' R' ' 104' ' ' LEU . 8.5 tttm -60.91 104.99 0.41 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.457 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.419 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.02 153.03 0.12 Allowed Pre-proline 0 N--CA 1.488 1.447 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -63.36 163.71 22.67 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 121.358 1.372 . . . . 0.0 112.036 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -173.87 0.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.779 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -112.99 -164.52 0.92 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.717 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.9 -164.9 1.01 Allowed 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.469 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.03 60.6 1.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 31.6 mmm -62.52 106.84 0.83 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.66 105.7 0.06 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.225 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.41 125.93 30.05 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.369 -0.933 . . . . 0.0 110.691 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.96 -117.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.582 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.0 105.22 3.64 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.168 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -121.0 25.59 9.55 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.862 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -72.23 -40.78 67.5 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.408 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' S' ' 20' ' ' LEU . 18.7 mt-10 -75.22 -51.53 13.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.217 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . 0.462 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 72.9 t-105 -35.77 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' S' ' 18' ' ' GLU . 12.5 mt -108.32 -67.95 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.16 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' S' ' 20' ' ' LEU . 18.3 mtp85 -32.24 -47.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' S' ' 24' ' ' ASP . 49.9 m-85 -89.7 -40.54 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.427 -1.309 . . . . 0.0 111.626 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 72.4 t -56.51 -12.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 C-N-CA 117.933 -1.507 . . . . 0.0 108.61 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' S' ' 22' ' ' PHE . 11.6 t0 -71.94 -32.79 67.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.336 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.45 -29.05 41.63 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.555 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 tp -51.25 -47.0 62.55 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -63.63 -50.87 67.65 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 1.4 m120 -42.16 -40.6 2.39 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.037 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' S' ' 30' ' ' TYR . . . -70.65 -49.36 48.21 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.066 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.9 m-85 -44.42 -83.22 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 118.894 -1.123 . . . . 0.0 109.788 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.587 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.6 tp-100 -16.6 -64.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 O-C-N 125.612 1.82 . . . . 0.0 112.498 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' S' ' 34' ' ' LEU . 2.5 m120 -73.2 32.92 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.729 ' N ' ' O ' ' S' ' 30' ' ' TYR . 7.3 t0 30.7 28.33 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.177 0.923 . . . . 0.0 112.187 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' S' ' 32' ' ' ASN . 4.0 mt -94.9 14.83 20.3 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 118.791 -1.164 . . . . 0.0 110.048 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' S' ' 36' ' ' LEU . 30.0 p-80 -70.32 -37.5 74.73 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.441 -1.304 . . . . 0.0 112.018 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.1 mm? -30.93 -61.12 0.27 Allowed Pre-proline 0 N--CA 1.505 2.289 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -60.77 -78.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.115 1.21 . . . . 0.0 113.537 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 0.6 OUTLIER -46.25 -43.26 15.39 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.203 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' S' ' 38' ' ' LEU . 0.6 OUTLIER -41.8 -71.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.626 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . 0.45 ' O ' ' OG1' ' S' ' 44' ' ' THR . 7.1 t-20 -36.87 -56.51 0.86 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.327 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.97 -21.6 66.22 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.601 -0.84 . . . . 0.0 113.061 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 36.3 mtp -99.27 -58.5 1.92 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.274 -0.97 . . . . 0.0 113.424 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.57 17.12 18.46 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' S' ' 40' ' ' ASN . 0.8 OUTLIER -44.84 -50.38 25.53 Favored Pre-proline 0 N--CA 1.493 1.701 0 C-N-CA 118.204 -1.398 . . . . 0.0 112.435 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' S' ' 47' ' ' GLU . 5.2 Cg_endo -71.83 -60.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 120.463 0.775 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.81 -5.48 0.24 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' S' ' 45' ' ' PRO . 0.2 OUTLIER -62.16 -69.22 0.26 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.068 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -75.72 -20.17 58.55 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.45 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.03 -37.86 15.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.206 -0.998 . . . . 0.0 113.531 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.2 -30.37 9.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -69.89 -74.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.347 -1.341 . . . . 0.0 112.042 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' S' ' 51' ' ' LEU . . . -37.13 -41.97 0.74 Allowed Glycine 0 N--CA 1.49 2.256 0 C-N-CA 120.26 -0.971 . . . . 0.0 111.526 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 53' ' ' THR . . . . . 0.431 ' H ' ' HG1' ' S' ' 53' ' ' THR . 1.7 p -67.88 -56.2 10.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -53.59 -18.9 3.27 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.465 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.61 -34.62 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -63.76 1.13 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.19 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -43.9 -77.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.16 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' S' ' 57' ' ' ILE . 98.7 t -36.22 -71.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' S' ' 58' ' ' VAL . 22.1 tt0 -37.17 -37.04 0.15 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.568 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.33 -44.86 74.42 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' S' ' 58' ' ' VAL . 6.5 mt -62.22 -27.67 69.16 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.85 -64.23 0.79 Allowed 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -95.19 15.76 18.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' S' ' 66' ' ' MET . . . -92.26 -91.26 1.46 Allowed Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.261 -1.447 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 42.75 17.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.308 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 66' ' ' MET . . . . . 0.538 ' N ' ' O ' ' S' ' 64' ' ' GLY . 7.2 ttt -127.18 -46.21 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m 46.04 81.93 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.691 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -53.71 -76.69 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.953 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -131.32 -94.53 0.37 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.419 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -100.81 56.76 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.819 -0.753 . . . . 0.0 112.052 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.35 -66.15 0.92 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.502 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -0.01 39.99 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.478 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . 0.472 HD21 ' N ' ' S' ' 73' ' ' ASN . 1.6 m-80 -83.37 -61.77 1.76 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -128.59 49.32 2.21 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.85 -50.44 26.32 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.68 100.43 2.33 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . 56.94 59.31 3.53 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.57 22.73 0.05 OUTLIER Glycine 0 N--CA 1.49 2.245 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.211 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' S' ' 79' ' ' ILE . 1.1 mp -118.4 28.07 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.799 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.88 -2.15 58.37 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.0 -13.97 6.17 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.599 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 2.6 mt -93.92 -77.1 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.416 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -94.99 26.4 3.66 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -36.54 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.015 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.6 141.6 21.26 Favored Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.123 -1.513 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -50.06 143.33 8.22 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.02 9.6 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.16 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . 0.529 ' H ' ' CD2' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -72.1 -31.25 65.88 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.104 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -89.8 -8.51 51.96 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.87 59.6 0.67 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.1 162.19 44.38 Favored Pre-proline 0 C--N 1.306 -1.304 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -61.43 -14.66 36.18 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.682 1.588 . . . . 0.0 111.481 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -12.58 6.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 C-N-CA 118.729 -1.188 . . . . 0.0 109.082 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.32 -9.44 23.56 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.387 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.447 ' C ' ' N ' ' S' ' 98' ' ' GLN . 20.5 tp -89.43 -48.07 7.58 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -25.66 0.61 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.097 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' S' ' 96' ' ' LEU . 11.2 mm100 -46.44 -57.34 4.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.52 ' O ' ' N ' ' S' ' 101' ' ' GLU . 45.6 t90 -89.66 -56.33 3.29 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.384 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' S' ' 99' ' ' TRP . 1.8 tp -33.39 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.859 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' S' ' 99' ' ' TRP . 7.5 tt0 -82.07 -35.93 28.18 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' S' ' 99' ' ' TRP . 31.6 mt-10 -74.16 -10.97 60.14 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.149 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -108.05 -40.52 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 C-N-CA 119.159 -1.016 . . . . 0.0 113.301 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -81.67 -51.46 8.18 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.654 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.92 -83.09 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.622 -1.231 . . . . 0.0 111.595 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -132.04 -170.99 2.52 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 116.244 -1.836 . . . . 0.0 110.993 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 157.14 76.6 Favored Pre-proline 0 N--CA 1.491 1.623 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.545 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -64.93 -7.54 15.45 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.526 1.484 . . . . 0.0 112.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -104.85 -80.62 0.54 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.736 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 8' ' ' SER . . . . . 0.412 ' HG ' ' H ' ' R' ' 9' ' ' ALA . 2.6 t -69.92 -171.13 0.39 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.605 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . 0.412 ' H ' ' HG ' ' R' ' 8' ' ' SER . . . -165.06 -112.03 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.641 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.58 -96.51 0.08 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.84 115.04 0.74 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.802 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.21 -34.26 11.17 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.531 -0.867 . . . . 0.0 111.414 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -154.91 -15.49 0.12 Allowed 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.926 -1.11 . . . . 0.0 111.689 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.06 109.72 2.25 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.4 -61.81 0.18 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.22 24.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -83.43 -67.64 0.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.567 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -26.92 65.41 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -49.53 -48.45 48.22 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.232 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.97 -50.41 10.46 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -51.19 -38.47 52.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' R' ' 24' ' ' ASP . 40.2 t80 -75.09 -71.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.306 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -42.77 -21.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.575 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' R' ' 22' ' ' PHE . 0.5 OUTLIER -68.39 -45.45 72.69 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.816 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.4 -30.17 69.02 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.321 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.54 -52.92 62.11 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.336 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -52.68 -58.4 6.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . 0.492 HD21 ' N ' ' R' ' 28' ' ' ASN . 1.1 m-80 -38.43 -55.23 1.41 Allowed 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.053 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.46 75.73 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.619 ' O ' ' N ' ' R' ' 32' ' ' ASN . 1.5 m-85 -45.69 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.04 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' R' ' 30' ' ' TYR . 4.3 tt0 5.1 -69.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 127.149 2.781 . . . . 0.0 111.294 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.7 m-20 -81.92 -96.83 0.04 OUTLIER 'General case' 0 C--N 1.274 -2.696 0 C-N-CA 117.917 -1.513 . . . . 0.0 107.72 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.34 26.58 0.52 Allowed 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 8.14 31.46 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.515 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 15.8 p-80 -70.03 -43.72 70.73 Favored 'General case' 0 C--N 1.292 -1.899 0 C-N-CA 117.731 -1.588 . . . . 0.0 112.036 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.46 -57.59 1.83 Allowed Pre-proline 0 N--CA 1.502 2.145 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.59 -73.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 120.612 0.875 . . . . 0.0 113.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' R' ' 39' ' ' LEU . 0.3 OUTLIER -59.21 -36.54 75.57 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.102 -1.439 . . . . 0.0 109.869 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.452 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 57.1 tp -57.5 -36.22 71.23 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.86 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.478 HD21 ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -63.15 -34.3 77.33 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.866 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -33.24 9.56 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.617 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.86 28.85 0.57 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.478 ' CD1' HD21 ' R' ' 40' ' ' ASN . 1.2 mt -67.87 -0.76 4.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.509 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.94 148.78 2.69 Favored Pre-proline 0 C--N 1.301 -1.512 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' R' ' 47' ' ' GLU . 6.0 Cg_exo -55.82 -44.78 44.3 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 120.726 0.95 . . . . 0.0 111.342 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.35 3.57 0.64 Allowed 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.17 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' R' ' 45' ' ' PRO . 9.3 mm-40 -114.79 -48.56 2.84 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.043 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' R' ' 50' ' ' ALA . 59.7 ttt180 -70.7 -51.92 24.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.063 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' R' ' 53' ' ' THR . 0.5 OUTLIER -63.46 -7.42 6.72 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.042 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' R' ' 48' ' ' ARG . . . -103.51 -28.4 11.78 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.444 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.26 -53.1 54.43 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.978 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.96 -38.87 90.67 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.33 -1.414 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 53' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.3 OUTLIER -63.96 -33.79 76.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.005 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.7 -22.97 61.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.61 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.44 -27.23 7.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' R' ' 57' ' ' ILE . 4.8 mtm180 -63.49 -56.6 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.556 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -41.78 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.236 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' R' ' 57' ' ' ILE . 73.3 t -34.7 -63.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.33 -44.14 23.43 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.829 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 62' ' ' LEU . 32.3 tt0 -69.05 -55.42 10.84 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.77 -19.85 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.595 ' C ' ' H ' ' R' ' 64' ' ' GLY . 5.9 tp -42.36 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.691 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 13.59 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.401 -0.919 . . . . 0.0 111.631 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -84.97 -16.25 65.6 Favored Glycine 0 N--CA 1.488 2.122 0 C-N-CA 119.505 -1.331 . . . . 0.0 110.185 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.82 -44.5 77.1 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 7.1 ttm -95.5 -59.88 1.78 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.194 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.19 92.94 5.14 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.706 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . 0.439 ' C ' ' H ' ' R' ' 70' ' ' GLU . 5.4 tt0 -75.33 -63.7 1.22 Allowed 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -59.32 -1.07 0.18 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.715 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' R' ' 68' ' ' GLN . 1.7 mm-40 -96.56 5.82 50.0 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.924 -1.11 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.54 159.01 34.14 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt 57.67 64.09 1.65 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -94.78 18.65 11.32 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 51.12 70.83 0.49 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.38 -38.8 21.51 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.05 43.78 0.05 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.092 -1.528 . . . . 0.0 110.732 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.96 -22.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.41 -126.22 7.5 Favored Glycine 0 N--CA 1.489 2.196 0 C-N-CA 119.2 -1.476 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' R' ' 80' ' ' ALA . 11.3 mt -87.26 -37.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.006 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' R' ' 79' ' ' ILE . . . 40.91 -102.38 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -126.84 3.66 6.64 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 6.2 mt -57.06 -68.12 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 84.9 m -72.33 -70.69 0.33 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.663 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -52.77 -94.36 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.55 -103.87 0.82 Allowed Glycine 0 N--CA 1.49 2.3 0 C-N-CA 119.382 -1.39 . . . . 0.0 110.502 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 80.6 p -160.78 79.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 48.85 74.37 0.18 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 88' ' ' SER . . . . . 0.555 ' C ' ' H ' ' R' ' 90' ' ' LYS . 2.6 p -79.13 -87.4 0.06 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.63 -6.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . 0.555 ' H ' ' C ' ' R' ' 88' ' ' SER . 51.0 mttm -93.59 13.02 23.29 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.43 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.95 -81.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.31 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 170.91 78.16 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -71.27 -10.86 27.92 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 121.525 1.483 . . . . 0.0 111.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -13.59 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.03 -8.54 58.66 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -96.4 -41.24 8.71 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mtp-105 -52.8 -21.07 3.73 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -59.92 -66.1 0.57 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . 0.457 ' O ' ' N ' ' R' ' 102' ' ' GLU . 27.5 t90 -72.06 -58.33 3.53 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.55 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -38.61 -31.71 0.06 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.38 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.79 -34.65 74.01 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.663 -1.215 . . . . 0.0 110.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 99' ' ' TRP . 33.2 mt-10 -79.25 -19.13 51.39 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.66 -26.58 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 119.085 -1.046 . . . . 0.0 113.365 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.8 -32.23 9.43 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.87 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 -70.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.651 -1.22 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -90.71 113.19 25.22 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 116.259 -1.829 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.95 155.67 30.5 Favored Pre-proline 0 N--CA 1.487 1.414 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.292 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.12 105.22 0.14 Allowed 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.088 1.192 . . . . 0.0 111.357 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.581 ' CD2' ' N ' ' S' ' 8' ' ' SER . 4.3 p90 -100.89 -159.9 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 8' ' ' SER . . . . . 0.581 ' N ' ' CD2' ' S' ' 7' ' ' TYR . 1.2 p 70.73 120.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.57 -75.16 0.56 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.4 -1.35 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.585 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 9.4 ttp -45.93 -71.98 0.06 Allowed 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . 57.4 171.76 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.82 132.35 52.89 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.778 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.62 163.02 0.49 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.38 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 46.22 71.1 0.32 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -120.28 -37.26 3.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.99 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' S' ' 20' ' ' LEU . 8.1 pt-20 -102.32 -28.54 12.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.13 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -45.1 -16.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.257 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' S' ' 18' ' ' GLU . 24.7 mt -114.11 -57.22 2.3 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.566 -0.853 . . . . 0.0 112.237 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -31.54 8.46 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' S' ' 25' ' ' LEU . 1.3 m-85 -93.97 -53.75 3.86 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.62 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -46.23 -31.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.08 -38.38 82.72 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.266 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' S' ' 22' ' ' PHE . 68.0 mt -69.87 -33.48 72.3 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.06 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.52 -34.64 67.22 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.333 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -22.89 59.89 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.95 -49.9 40.49 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.3 98.67 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.173 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.725 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.5 OUTLIER -44.22 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.474 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.507 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.3 tp60 -15.12 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 125.085 1.49 . . . . 0.0 113.296 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' S' ' 34' ' ' LEU . 3.7 m-80 -78.04 35.1 0.2 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.725 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 32.35 28.6 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.132 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.0 OUTLIER -93.66 16.88 12.81 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.393 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.446 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 31.1 p-80 -89.55 -27.15 20.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.956 -1.097 . . . . 0.0 112.348 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -44.51 -50.96 22.05 Favored Pre-proline 0 N--CA 1.491 1.599 0 C-N-CA 118.502 -1.279 . . . . 0.0 112.754 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -57.03 -65.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 120.074 0.516 . . . . 0.0 111.566 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.3 OUTLIER -53.44 -34.87 59.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.087 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -55.39 -61.0 2.63 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.57 -39.31 0.71 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.688 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -43.49 -67.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.92 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 8.3 ttt -91.93 46.25 1.26 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.825 -1.15 . . . . 0.0 113.298 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.8 OUTLIER -60.33 -57.32 13.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.312 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.1 OUTLIER 51.69 154.62 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.068 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -67.44 -35.97 21.7 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.325 1.35 . . . . 0.0 111.251 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.33 -71.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.879 -0.729 . . . . 0.0 111.48 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -40.88 -41.68 1.65 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.243 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' S' ' 50' ' ' ALA . 21.2 ttt180 -64.98 -60.98 2.44 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.24 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -70.64 5.43 1.88 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' S' ' 48' ' ' ARG . . . -109.92 -42.96 4.09 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.768 -0.773 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' S' ' 50' ' ' ALA . 6.3 tt -42.69 -50.6 5.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -55.67 -56.95 21.14 Favored Glycine 0 N--CA 1.483 1.8 0 C-N-CA 119.274 -1.441 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 53' ' ' THR . . . . . 0.477 ' C ' ' O ' ' S' ' 52' ' ' GLY . 2.1 m -36.53 -30.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.057 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' S' ' 52' ' ' GLY . 2.3 mtp85 -82.61 -42.79 17.78 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.568 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' S' ' 52' ' ' GLY . 4.7 p -51.36 -17.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 118.128 -1.429 . . . . 0.0 110.124 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.6 OUTLIER -65.26 -60.66 2.75 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.237 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.412 HG13 ' H ' ' S' ' 58' ' ' VAL . 0.5 OUTLIER -49.96 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 118.771 -1.171 . . . . 0.0 111.571 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.412 ' H ' HG13 ' S' ' 57' ' ' ILE . 67.9 t -36.72 -52.85 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.235 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' S' ' 62' ' ' LEU . 3.9 tm-20 -58.4 -60.1 4.31 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' S' ' 60' ' ' GLU . 0.5 OUTLIER -38.69 -34.09 0.13 Allowed 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.382 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mt -75.19 -37.58 61.13 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' S' ' 59' ' ' GLU . 4.4 tt -48.39 -50.39 30.98 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -84.34 0.96 47.21 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.631 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.13 23.17 37.25 Favored Glycine 0 N--CA 1.488 2.143 0 C-N-CA 119.735 -1.222 . . . . 0.0 110.13 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.47 -18.74 60.39 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.338 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.65 5.9 27.3 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.488 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -87.61 91.94 8.92 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.36 -73.1 0.45 Allowed 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.44 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -83.84 -11.29 57.21 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.206 -0.997 . . . . 0.0 110.052 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -101.76 52.25 0.83 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -44.6 64.19 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.585 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.98 9.32 20.46 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.734 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.87 9.08 31.78 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' S' ' 75' ' ' LEU . 7.6 mm-40 -92.41 54.64 2.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' S' ' 74' ' ' GLU . 2.7 mt -34.96 -89.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.394 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' S' ' 77' ' ' ALA . . . 45.85 22.87 0.87 Allowed Glycine 0 N--CA 1.492 2.389 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' S' ' 76' ' ' GLY . . . 71.0 112.31 0.06 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.91 2.92 0.61 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 119.438 -1.363 . . . . 0.0 110.759 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 tp -70.37 -9.41 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' S' ' 83' ' ' THR . . . -73.83 -42.41 60.92 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.487 -0.885 . . . . 0.0 111.674 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -20.9 63.58 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.621 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 mt -93.4 -32.35 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.527 ' H ' ' HG1' ' S' ' 83' ' ' THR . 0.1 OUTLIER -48.2 -71.12 0.07 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.485 -0.886 . . . . 0.0 111.429 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -71.69 0.21 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.45 -102.14 0.15 Allowed Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.384 -1.389 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.42 23.86 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.441 -0.904 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.08 116.14 0.86 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t -152.99 -176.37 5.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.77 -70.45 0.24 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' S' ' 92' ' ' ALA . 9.1 pttt -92.27 -23.86 19.17 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.532 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.5 40.02 0.35 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.771 -1.171 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' S' ' 94' ' ' VAL . . . -76.5 148.73 80.53 Favored Pre-proline 0 C--N 1.305 -1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.976 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.472 ' C ' ' N ' ' S' ' 95' ' ' GLU . 2.2 Cg_endo -61.91 -0.89 1.83 Allowed 'Trans proline' 0 C--O 1.213 -0.753 0 C-N-CA 121.474 1.449 . . . . 0.0 111.005 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' S' ' 92' ' ' ALA . 43.2 t -53.4 -16.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.822 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . 0.472 ' N ' ' C ' ' S' ' 93' ' ' PRO . 25.7 mt-10 -86.23 -23.89 26.25 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.335 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' S' ' 93' ' ' PRO . 0.5 OUTLIER -73.83 -43.28 59.23 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.489 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -30.11 33.33 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -47.19 -63.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.431 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' S' ' 100' ' ' LEU . 48.9 t90 -82.36 -57.43 3.37 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.132 -1.027 . . . . 0.0 112.592 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' S' ' 99' ' ' TRP . 1.8 tp -31.64 -53.08 0.24 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.103 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.78 -40.05 69.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.456 -0.898 . . . . 0.0 112.135 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' S' ' 99' ' ' TRP . 23.0 mt-10 -65.08 -35.9 82.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.1 p -102.4 -30.42 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' S' ' 106' ' ' LYS . 0.4 OUTLIER -84.91 -65.62 0.99 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.834 -1.147 . . . . 0.0 111.932 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.98 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.246 -0.981 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' S' ' 104' ' ' LEU . 11.3 tptp -69.88 104.9 2.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.483 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 116.329 -1.796 . . . . 0.0 110.929 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.209 0.528 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.39 163.97 22.4 Favored Pre-proline 0 C--N 1.303 -1.453 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.776 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . 0.533 ' O ' ' CG ' ' R' ' 7' ' ' TYR . 13.2 Cg_exo -48.8 -61.73 0.54 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.17 1.247 . . . . 0.0 111.78 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' R' ' 6' ' ' PRO . 54.9 m-85 -159.69 91.94 1.01 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.653 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.68 137.16 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.67 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.42 -5.44 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.76 128.65 46.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.01 20.52 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.67 122.36 3.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.25 178.3 2.9 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.727 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . 0.661 ' NE2' HH12 ' R' ' 15' ' ' ARG . 21.3 mt-30 -78.39 -79.79 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.212 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . 0.661 HH12 ' NE2' ' R' ' 14' ' ' GLN . 0.6 OUTLIER -60.35 96.66 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.903 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.58 -46.33 0.06 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.628 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.47 -10.52 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.176 -1.009 . . . . 0.0 110.675 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.2 OUTLIER -104.24 -36.24 7.71 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.467 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 25.6 t-105 -47.29 -12.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.286 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' R' ' 18' ' ' GLU . 15.9 mt -113.51 -58.96 2.08 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.705 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -49.67 -53.32 25.15 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.68 -52.79 33.81 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -51.59 -22.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 C-N-CA 118.367 -1.333 . . . . 0.0 110.709 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -25.02 55.41 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.731 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.93 -21.71 37.13 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.168 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.05 39.79 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.322 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . 0.545 ' CB ' ' HZ1' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -61.19 -29.93 70.11 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.087 -1.045 . . . . 0.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -56.49 -59.51 4.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.651 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -49.45 -52.24 30.37 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 118.365 -1.334 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -45.38 -68.73 0.17 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.325 -1.35 . . . . 0.0 109.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' R' ' 30' ' ' TYR . 13.1 tt0 7.57 -69.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 126.898 2.624 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.663 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.9 OUTLIER -91.2 -93.35 0.14 Allowed 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 117.871 -1.531 . . . . 0.0 107.018 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 91.4 m-20 -148.88 26.65 0.9 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.12 4.68 41.26 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.198 -1.801 . . . . 0.0 114.428 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.753 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 2.4 p-80 -67.18 -54.3 22.42 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 117.21 -1.796 . . . . 0.0 111.841 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.457 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.5 mm? -27.87 -62.04 0.19 Allowed Pre-proline 0 N--CA 1.502 2.171 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.7 Cg_endo -52.61 -85.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.981 0 C-N-CA 120.646 0.897 . . . . 0.0 113.152 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.4 pp -52.42 -39.2 60.69 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.309 -1.356 . . . . 0.0 111.173 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 29.3 tp -41.11 -42.06 1.91 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.652 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.6 OUTLIER -66.08 -44.09 85.46 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.552 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' R' ' 38' ' ' LEU . 6.8 tp -60.93 -0.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 42' ' ' MET . . . . . 0.495 ' H ' ' C ' ' R' ' 40' ' ' ASN . 18.9 ttt -105.55 -44.95 4.56 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.771 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' R' ' 44' ' ' THR . 7.1 mt -100.1 -28.38 13.07 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.737 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.441 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER 53.18 178.46 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.603 0 C-N-CA 118.48 -1.288 . . . . 0.0 108.195 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -66.22 -51.33 1.15 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.014 1.142 . . . . 0.0 113.415 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -42.37 -59.55 1.8 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.562 -0.855 . . . . 0.0 112.23 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -78.37 -19.44 53.38 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.355 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . 0.407 ' C ' ' H ' ' R' ' 50' ' ' ALA . 10.7 ttt180 -53.01 -49.53 66.04 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -14.89 1.96 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.385 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' R' ' 51' ' ' LEU . . . -85.53 -39.93 16.88 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' R' ' 50' ' ' ALA . 3.7 tt -45.78 -53.55 9.39 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.33 -57.73 6.25 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 12.9 m -58.26 -16.43 13.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . 0.457 ' NH2' ' OG1' ' S' ' 44' ' ' THR . 0.0 OUTLIER -84.76 -63.18 1.38 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.507 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . 0.403 ' CG2' ' CD2' ' S' ' 22' ' ' PHE . 1.5 p -45.27 -25.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.5 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' R' ' 54' ' ' ARG . 16.5 ttm180 -60.9 -60.22 4.13 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.054 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.538 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 0.9 OUTLIER -44.55 -57.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.757 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.538 ' N ' ' CG1' ' R' ' 57' ' ' ILE . 76.5 t -48.93 -60.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.373 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.12 -42.09 6.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' R' ' 62' ' ' LEU . 0.0 OUTLIER -77.28 -45.68 25.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.964 -1.095 . . . . 0.0 111.582 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' R' ' 62' ' ' LEU . 20.3 mt -54.36 -11.45 0.52 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' R' ' 61' ' ' LEU . 10.8 tp -19.38 -80.49 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 124.161 0.913 . . . . 0.0 111.779 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -75.07 -91.35 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.82 -94.83 1.04 Allowed Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.934 -1.127 . . . . 0.0 110.451 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.61 -49.6 0.98 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.622 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -15.98 58.7 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.486 -0.886 . . . . 0.0 110.525 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 6.8 m 53.3 -161.38 0.12 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.12 -67.13 0.4 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -115.81 -76.5 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.609 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' R' ' 72' ' ' LYS . 6.1 pt-20 -166.23 49.72 0.08 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.122 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.16 39.55 0.19 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' R' ' 70' ' ' GLU . 12.7 ptmt -143.39 7.28 1.53 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -128.37 -13.93 4.85 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' R' ' 76' ' ' GLY . 3.0 mm-40 -107.13 -84.33 0.52 Allowed 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.332 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.41 12.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.211 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' R' ' 74' ' ' GLU . . . 178.42 90.98 0.08 OUTLIER Glycine 0 N--CA 1.488 2.163 0 C-N-CA 118.608 -1.758 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.74 150.52 21.07 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.359 -0.937 . . . . 0.0 109.958 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.62 94.82 2.24 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 tp -81.03 17.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 C-N-CA 119.724 -0.791 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.94 -9.14 47.2 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.203 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 12.1 p -103.58 -9.18 19.45 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.51 -57.57 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.962 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 83' ' ' THR . . . . . 0.512 ' O ' ' C ' ' R' ' 84' ' ' ARG . 90.9 m -102.07 32.28 3.55 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' R' ' 85' ' ' GLY . 0.0 OUTLIER -13.89 -62.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.163 0 O-C-N 124.274 0.984 . . . . 0.0 113.119 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . 0.692 ' N ' ' HE ' ' R' ' 84' ' ' ARG . . . -172.43 151.93 15.6 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 118.811 -1.661 . . . . 0.0 111.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 86' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' R' ' 86' ' ' SER . 30.9 t -161.27 31.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -38.2 -65.78 0.31 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.605 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 20.3 p -70.2 107.79 3.86 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . 0.578 ' H ' ' CD2' ' R' ' 89' ' ' LEU . 2.0 pt? -65.4 -8.34 18.27 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.361 -0.935 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -66.3 -16.5 64.09 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.485 -0.886 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.37 73.53 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.86 68.78 1.76 Allowed Pre-proline 0 N--CA 1.488 1.464 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.08 -21.07 24.39 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.669 1.579 . . . . 0.0 109.99 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' R' ' 96' ' ' LEU . 0.0 OUTLIER -52.15 -19.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.95 1.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' R' ' 94' ' ' VAL . 20.7 tp -94.42 -45.01 7.63 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.355 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -49.71 -21.87 1.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.803 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' R' ' 96' ' ' LEU . 18.2 mm-40 -52.99 -65.31 0.58 Allowed 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' R' ' 102' ' ' GLU . 40.3 t90 -77.54 -56.53 4.45 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 118.57 -1.252 . . . . 0.0 110.669 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 tp -35.61 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.624 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' R' ' 99' ' ' TRP . 2.9 tt0 -78.13 -37.78 45.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.339 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.3 mt-10 -74.63 -10.61 59.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.65 -34.04 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 118.999 -1.08 . . . . 0.0 113.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.23 -65.54 0.96 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.97 -56.81 15.31 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.54 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' R' ' 102' ' ' GLU . 44.9 tttt -113.41 125.24 54.03 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.444 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.31 -1.805 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -139.27 72.21 38.78 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.087 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' S' ' 7' ' ' TYR . 1.8 Cg_endo -66.54 -42.34 9.76 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.641 1.56 . . . . 0.0 111.819 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' S' ' 6' ' ' PRO . 1.8 t80 67.61 128.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.75 168.19 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.496 -0.881 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 119.69 17.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.34 -159.46 0.7 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.679 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 139.5 58.77 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.505 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.73 -80.18 0.18 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.04 171.41 8.96 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -103.22 40.52 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.313 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.02 117.29 10.48 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.589 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.3 p-80 -135.77 22.92 3.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.836 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -80.6 -65.86 0.96 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.629 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -63.6 -14.64 53.54 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.931 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -56.23 -16.43 5.36 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.51 -51.36 2.88 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.633 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -49.35 -50.33 40.34 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' S' ' 25' ' ' LEU . 34.4 t80 -75.59 -53.33 8.78 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 118.292 -1.363 . . . . 0.0 113.805 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' S' ' 22' ' ' PHE . 14.7 m -44.85 -27.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 118.284 -1.366 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.1 OUTLIER -60.15 -43.06 96.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' S' ' 22' ' ' PHE . 70.8 mt -61.96 -33.1 73.68 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.389 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -47.26 -34.75 6.91 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 118.503 -1.279 . . . . 0.0 109.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -70.81 -46.86 62.04 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.454 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . 0.618 HD21 ' H ' ' S' ' 28' ' ' ASN . 1.9 m-80 -47.35 -42.91 22.46 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.39 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.83 -45.21 29.38 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.748 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.6 OUTLIER -48.11 -81.94 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.601 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.58 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -15.78 -67.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 125.066 1.479 . . . . 0.0 112.923 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 9.1 m-20 -74.95 35.3 0.1 Allowed 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.002 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.748 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 30.79 28.66 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 O-C-N 124.268 0.98 . . . . 0.0 111.913 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 3.6 mt -92.16 14.78 15.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.831 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.562 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 21.0 p-80 -81.54 -29.98 33.31 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.143 -1.423 . . . . 0.0 110.738 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -37.96 -55.06 2.33 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.59 -66.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 CA-C-N 119.09 0.711 . . . . 0.0 111.203 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.3 OUTLIER -50.61 -31.16 15.18 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.095 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -53.08 -56.99 11.95 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.754 -1.178 . . . . 0.0 108.506 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -31.37 35.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 26.8 tp -55.98 -28.29 56.46 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 42' ' ' MET . . . . . 0.535 ' C ' ' H ' ' S' ' 44' ' ' THR . 1.3 mpp? -106.59 10.92 31.01 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.719 -0.792 . . . . 0.0 112.5 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.96 -1.11 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.535 ' H ' ' C ' ' S' ' 42' ' ' MET . 0.0 OUTLIER -43.67 159.97 0.22 Allowed Pre-proline 0 C--N 1.302 -1.47 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.207 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.23 -24.31 15.03 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.361 1.374 . . . . 0.0 111.508 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.67 -41.16 96.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -44.86 10.04 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.73 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -46.01 -57.24 4.59 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -61.29 -15.29 33.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.228 -0.989 . . . . 0.0 110.76 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 -5.73 33.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.034 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -81.27 -82.05 0.13 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.526 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.54 -34.28 4.94 Favored Glycine 0 N--CA 1.482 1.718 0 C-N-CA 119.472 -1.347 . . . . 0.0 109.94 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -65.36 -54.75 24.35 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.847 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -45.52 -29.03 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.48 -37.0 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.998 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . 0.493 ' NH1' ' OE1' ' S' ' 59' ' ' GLU . 0.1 OUTLIER -63.66 -60.93 2.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -41.29 -77.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.398 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' S' ' 57' ' ' ILE . 72.1 t -35.65 -52.23 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.846 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . 0.493 ' OE1' ' NH1' ' S' ' 56' ' ' ARG . 20.0 tt0 -55.78 -74.01 0.05 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.872 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' OE2' ' S' ' 74' ' ' GLU . 4.1 mm-40 -47.34 -50.5 21.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.752 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -41.73 -61.62 1.06 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.521 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -56.32 14.09 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.021 -1.071 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -12.36 0.63 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.245 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.12 25.13 7.17 Favored Glycine 0 N--CA 1.489 2.222 0 C-N-CA 119.324 -1.417 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.31 8.12 43.01 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 44.4 tpp -130.86 -71.59 0.57 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.929 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.41 84.47 2.52 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.212 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.02 -18.62 63.53 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -66.41 -29.11 69.19 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.248 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -110.64 46.96 1.01 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -23.47 24.12 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.146 -1.022 . . . . 0.0 110.423 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -151.32 -18.62 0.2 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.582 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -56.99 -73.64 0.06 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' S' ' 76' ' ' GLY . 37.3 mt-10 51.73 77.92 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.64 2.0 1.09 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' S' ' 74' ' ' GLU . . . -90.46 -14.73 58.14 Favored Glycine 0 N--CA 1.489 2.179 0 C-N-CA 119.178 -1.487 . . . . 0.0 109.956 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.17 -102.73 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.78 -175.6 42.64 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.274 -1.441 . . . . 0.0 111.038 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.47 8.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.52 -46.1 4.72 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.715 -0.794 . . . . 0.0 111.714 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 69.2 p -77.34 -47.82 18.96 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.787 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . 0.532 ' C ' ' H ' ' S' ' 84' ' ' ARG . 47.8 mt -70.25 -1.69 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 119.486 -0.886 . . . . 0.0 111.244 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.4 ' O ' ' C ' ' S' ' 84' ' ' ARG . 11.3 t -72.17 22.9 0.05 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.132 -1.027 . . . . 0.0 111.395 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' S' ' 82' ' ' ILE . 0.0 OUTLIER -41.21 -37.29 0.9 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.743 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.84 -140.37 5.65 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.097 -1.525 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.26 -170.98 3.54 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' S' ' 88' ' ' SER . 50.8 t30 52.01 -141.59 0.81 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 88' ' ' SER . . . . . 0.449 ' H ' ' CG ' ' S' ' 87' ' ' ASN . 0.6 OUTLIER 43.54 38.91 2.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.987 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 tp -40.93 -55.36 2.52 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.631 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' S' ' 91' ' ' ALA . 15.2 mttp -56.08 -86.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.528 -0.869 . . . . 0.0 112.108 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' S' ' 90' ' ' LYS . . . 76.48 -0.11 3.11 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.461 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.412 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . 50.49 68.42 3.43 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.922 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' S' ' 92' ' ' ALA . 18.1 Cg_endo -86.56 -17.95 3.3 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.234 1.956 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t -56.86 -27.39 26.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -78.72 -9.8 59.55 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' S' ' 98' ' ' GLN . 1.2 tt -93.84 -44.76 7.96 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.311 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -54.29 -15.59 1.68 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.663 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' S' ' 96' ' ' LEU . 41.4 mm-40 -51.75 -59.43 4.3 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -85.96 -49.27 7.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.056 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -43.5 -40.88 4.11 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.736 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.15 -24.64 27.42 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.39 -7.67 22.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 0.3 OUTLIER -97.75 -40.39 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' S' ' 106' ' ' LYS . 2.9 tp -106.3 -27.02 11.26 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.41 -0.916 . . . . 0.0 112.356 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.6 27.2 0.22 Allowed 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 110.521 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' S' ' 104' ' ' LEU . 9.2 mttp -84.08 77.2 9.98 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 116.397 -1.763 . . . . 0.0 110.9 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.861 0.363 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -178.8 70.48 0.2 Allowed Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.744 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . 0.471 ' C ' ' H ' ' R' ' 8' ' ' SER . 2.0 Cg_endo -70.64 -8.19 23.05 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.88 1.72 . . . . 0.0 111.751 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.04 25.69 0.12 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.238 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 8' ' ' SER . . . . . 0.471 ' H ' ' C ' ' R' ' 6' ' ' PRO . 2.9 p -176.76 108.94 0.08 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.193 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.0 -36.03 0.27 Allowed 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.501 -0.879 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.7 3.08 17.49 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 11' ' ' MET . . . . . 0.457 ' O ' ' N ' ' R' ' 13' ' ' GLU . 35.3 mtt -86.7 124.66 33.2 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 110.703 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 82.32 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.355 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 11' ' ' MET . 27.0 tt0 -104.89 59.95 0.69 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.175 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -168.51 78.48 0.14 Allowed 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -82.25 93.21 7.07 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.069 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -134.54 8.15 3.61 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.498 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.6 mt-30 -83.89 -82.22 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' R' ' 20' ' ' LEU . 7.5 mt-10 -42.01 -27.12 0.11 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' R' ' 17' ' ' GLN . 68.4 t-105 -48.61 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.664 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' R' ' 18' ' ' GLU . 16.1 mt -118.17 -70.56 0.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.565 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -44.82 7.5 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 48.2 m-85 -87.07 -47.68 8.71 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 118.359 -1.337 . . . . 0.0 112.404 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -50.18 -21.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 C-N-CA 118.228 -1.389 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 86.8 m-20 -74.29 -38.65 63.32 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.242 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.42 -31.93 73.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.83 -45.86 92.8 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' ND2' ' R' ' 28' ' ' ASN . 0.3 OUTLIER -64.35 -20.52 66.16 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.45 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . 0.422 ' ND2' ' NZ ' ' R' ' 27' ' ' LYS . 0.8 OUTLIER -70.8 -53.49 15.16 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.298 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.84 70.51 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.279 -1.368 . . . . 0.0 108.767 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -58.96 -69.5 0.19 Allowed 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 118.218 -1.393 . . . . 0.0 109.83 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.2 OUTLIER 7.51 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 126.794 2.559 . . . . 0.0 111.09 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.691 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.9 t-20 -93.05 -92.76 0.16 Allowed 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . 0.433 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 42.1 m-20 -152.74 23.71 0.59 Allowed 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.49 14.84 2.81 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 117.916 -1.514 . . . . 0.0 114.1 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -88.18 -42.7 12.15 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.3 -1.36 . . . . 0.0 109.967 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' R' ' 35' ' ' HIS . 2.0 mm? -27.56 -59.69 0.21 Allowed Pre-proline 0 N--CA 1.5 2.059 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.39 -76.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 120.427 0.751 . . . . 0.0 112.584 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.736 -1.185 . . . . 0.0 110.316 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' R' ' 39' ' ' LEU . 2.2 tm? -46.79 -63.22 1.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.409 -1.316 . . . . 0.0 107.968 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -46.1 -36.68 6.04 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.705 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.56 -18.46 2.87 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.47 25.65 10.13 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.591 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.04 13.42 2.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -43.3 150.26 0.51 Allowed Pre-proline 0 N--CA 1.491 1.604 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -48.13 -30.78 15.09 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.05 1.167 . . . . 0.0 111.876 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -56.58 19.38 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.814 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.02 -45.79 66.47 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -39.81 -57.54 1.54 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.706 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' R' ' 51' ' ' LEU . 97.3 mt-10 -59.56 -61.19 2.8 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.516 -0.874 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.83 -11.14 0.05 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.353 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' R' ' 49' ' ' GLU . 0.1 OUTLIER -78.76 -70.52 0.49 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.055 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.79 -26.63 11.15 Favored Glycine 0 N--CA 1.483 1.805 0 C-N-CA 119.259 -1.448 . . . . 0.0 110.565 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 53' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' R' ' 53' ' ' THR . 0.0 OUTLIER -70.06 -50.37 41.76 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.788 -1.165 . . . . 0.0 110.011 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.21 -33.29 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -68.26 0.18 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.25 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' R' ' 57' ' ' ILE . 61.6 t -34.16 -56.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.425 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' R' ' 62' ' ' LEU . 73.3 mm-40 -65.01 -67.2 0.46 Allowed 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.5 mm-40 -33.57 -42.11 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.55 -45.16 91.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.534 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' R' ' 59' ' ' GLU . 7.2 tt -43.04 -46.68 5.67 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.619 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -94.65 -11.94 28.31 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.399 -0.921 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.62 -15.59 73.41 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.512 -1.328 . . . . 0.0 110.701 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.04 -31.01 67.35 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.803 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 26.9 mtm -82.05 -17.46 46.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.731 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 24.2 m -103.4 164.62 11.53 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.501 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -92.54 -80.48 0.37 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.334 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -131.07 -33.4 1.53 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.072 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.09 -60.45 2.46 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.055 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.08 57.2 1.75 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.31 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -165.76 -8.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.22 -11.03 3.69 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.693 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -146.51 77.25 1.47 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 mt -117.97 14.13 14.09 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.24 69.02 0.63 Allowed Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.91 -79.3 0.09 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' R' ' 80' ' ' ALA . . . -162.36 45.59 0.35 Allowed Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.544 -1.312 . . . . 0.0 110.112 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.85 -3.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' R' ' 78' ' ' GLY . . . -64.49 -30.72 71.75 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 12.3 p -81.83 -21.62 37.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -90.24 -52.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.656 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 16.9 m -56.39 -76.61 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -52.94 -99.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.494 -0.882 . . . . 0.0 111.249 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.35 89.29 0.01 OUTLIER Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.459 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 160.72 27.13 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.116 -0.633 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -144.62 71.74 1.32 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.271 -0.972 . . . . 0.0 111.689 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -12.21 60.43 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.973 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -68.92 0.36 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.664 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -93.03 -35.81 13.05 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.396 -0.921 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.5 64.36 1.87 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.882 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.6 59.91 0.84 Allowed Pre-proline 0 C--N 1.302 -1.478 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -58.66 -20.13 49.05 Favored 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.114 1.21 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -14.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.99 -23.65 62.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.033 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.48 ' C ' ' N ' ' R' ' 98' ' ' GLN . 23.1 tp -82.73 -45.38 14.48 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.642 -0.823 . . . . 0.0 109.839 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -49.93 -18.52 0.53 Allowed 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.135 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.48 ' N ' ' C ' ' R' ' 96' ' ' LEU . 89.6 mt-30 -52.29 -53.4 44.51 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.547 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -95.43 -55.08 3.16 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.771 -1.172 . . . . 0.0 111.52 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tp -45.79 -44.67 14.22 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.43 -2.58 3.37 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.706 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.6 -22.63 11.87 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.82 -34.44 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.493 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -44.99 15.23 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.82 -68.99 0.19 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.331 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -159.4 128.1 5.17 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.819 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 116.381 -1.771 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.958 0.408 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -162.77 88.41 1.33 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.43 123.07 11.47 Favored 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 121.011 1.14 . . . . 0.0 111.871 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.485 ' C ' ' HG ' ' S' ' 8' ' ' SER . 66.6 m-85 -68.3 163.9 21.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.138 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 8' ' ' SER . . . . . 0.485 ' HG ' ' C ' ' S' ' 7' ' ' TYR . 16.5 m -148.64 -15.39 0.32 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.456 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.06 70.18 1.29 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.3 142.74 7.15 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.472 -0.891 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.77 -166.71 0.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.91 76.5 0.79 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.64 77.8 4.31 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.782 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -92.2 147.81 22.64 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' S' ' 17' ' ' GLN . 57.7 mtp85 -72.99 -72.49 0.25 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.245 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER 53.26 5.43 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.384 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . 0.527 ' H ' ' C ' ' S' ' 15' ' ' ARG . 43.0 tt0 -87.02 -45.7 10.51 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.915 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' S' ' 20' ' ' LEU . 8.7 pt-20 -66.4 -36.66 83.38 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.349 -0.94 . . . . 0.0 112.009 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' S' ' 19' ' ' TRP . 25.3 t-105 -58.88 -3.33 0.32 Allowed 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.533 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' S' ' 18' ' ' GLU . 20.6 mt -114.26 -40.67 3.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.147 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.79 95.67 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.285 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -72.62 -61.64 1.73 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.623 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -42.3 -42.76 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 119.4 -0.92 . . . . 0.0 111.819 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 0.7 OUTLIER -51.72 -37.18 49.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.71 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -80.37 -24.62 39.65 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.713 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -72.89 -43.08 62.9 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -50.66 -49.36 57.33 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.59 87.25 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -44.94 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.191 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' S' ' 30' ' ' TYR . 13.0 tt0 -9.5 -69.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.038 1.461 . . . . 0.0 113.668 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' S' ' 34' ' ' LEU . 19.0 m-20 -84.17 38.69 0.67 Allowed 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.1 t70 32.91 28.61 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.365 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.7 OUTLIER -88.87 15.7 8.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.452 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 46.8 p-80 -99.33 -6.87 27.14 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 2.1 mt -54.17 -47.78 96.26 Favored Pre-proline 0 C--N 1.3 -1.584 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' S' ' 40' ' ' ASN . 1.8 Cg_endo -66.71 -61.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 120.318 0.679 . . . . 0.0 111.228 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.453 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.6 -38.84 56.4 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.521 -1.271 . . . . 0.0 108.42 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 23.1 tp -58.95 -31.08 68.39 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.129 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.0 OUTLIER -81.79 -8.62 59.71 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.929 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.15 89.38 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.589 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 2.4 tpt -105.91 39.23 1.82 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' S' ' 43' ' ' LEU . 0.3 OUTLIER -67.82 -0.36 4.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.129 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.476 ' C ' ' H ' ' S' ' 46' ' ' ASP . 0.7 OUTLIER -36.94 155.38 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.611 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -50.43 -12.87 0.58 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 120.899 1.066 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' S' ' 44' ' ' THR . 0.1 OUTLIER -66.78 -65.41 0.68 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.038 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.86 -40.05 72.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.845 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' S' ' 50' ' ' ALA . 8.3 ttt180 -56.9 -48.04 79.14 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' S' ' 53' ' ' THR . 11.7 mt-10 -61.43 -4.01 1.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.749 -0.781 . . . . 0.0 111.268 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -114.16 -40.96 3.58 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 1.2 tm? -47.73 -76.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.403 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.99 -41.21 44.91 Favored Glycine 0 N--CA 1.482 1.742 0 C-N-CA 119.252 -1.452 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 53' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -69.94 -19.33 63.38 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.68 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' S' ' 50' ' ' ALA . 28.3 ttm180 -79.0 -30.35 44.23 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.171 -1.011 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -83.35 -28.13 7.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.34 -61.8 2.36 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.341 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.489 HG13 ' H ' ' S' ' 58' ' ' VAL . 0.5 OUTLIER -38.95 -72.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.025 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.489 ' H ' HG13 ' S' ' 57' ' ' ILE . 60.4 t -37.7 -64.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.93 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.76 10.81 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . 0.407 ' OE1' ' OD1' ' S' ' 73' ' ' ASN . 37.1 mm-40 -116.14 -38.67 3.56 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.681 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.23 -36.51 22.69 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.868 -1.133 . . . . 0.0 111.51 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -83.1 -25.03 32.37 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.549 -1.26 . . . . 0.0 110.814 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 5.38 47.22 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' S' ' 65' ' ' GLU . . . -63.81 -12.9 49.97 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.495 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' S' ' 64' ' ' GLY . 8.4 pt-20 31.28 41.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.115 0.483 . . . . 0.0 111.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.96 55.92 7.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.547 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 53.2 p -86.44 154.59 21.04 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.576 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.31 -60.46 2.12 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' S' ' 70' ' ' GLU . 35.1 mtp180 -128.79 -98.78 0.36 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.99 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' S' ' 69' ' ' ARG . 4.0 mm-40 37.82 55.68 1.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.734 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.37 -32.85 5.14 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.151 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' S' ' 74' ' ' GLU . 14.7 mttm -102.62 -5.07 24.27 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.546 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' S' ' 72' ' ' LYS . 0.4 OUTLIER 17.8 38.98 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.6 1.187 . . . . 0.0 113.293 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' S' ' 72' ' ' LYS . 6.5 mt-10 41.81 55.74 3.59 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.566 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -74.35 -50.58 18.12 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.97 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.88 -64.91 0.34 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -65.35 0.92 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.422 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.53 -156.06 23.36 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.609 -1.281 . . . . 0.0 110.769 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pt -78.08 9.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.06 -15.98 62.56 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 20.4 p -122.41 15.74 10.47 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.253 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 37.7 mt -126.79 -59.08 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.208 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.438 ' O ' ' O ' ' S' ' 84' ' ' ARG . 89.8 m -97.73 -80.83 0.44 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.414 -0.915 . . . . 0.0 111.962 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' S' ' 83' ' ' THR . 22.4 mmt-85 -45.57 -102.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.009 -0.677 . . . . 0.0 112.205 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.12 -175.44 0.14 Allowed Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.019 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 60.2 m -73.3 104.93 4.49 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . 0.602 HD22 ' CB ' ' S' ' 92' ' ' ALA . 1.8 t30 -172.37 143.24 1.4 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.287 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 88' ' ' SER . . . . . 0.503 ' C ' ' H ' ' S' ' 90' ' ' LYS . 1.0 OUTLIER -88.47 129.39 35.45 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.236 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . 0.539 ' H ' ' CD2' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -70.1 14.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.548 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' S' ' 88' ' ' SER . 8.1 mttm -69.16 -61.6 1.73 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.97 81.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.904 -0.719 . . . . 0.0 110.192 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.602 ' CB ' HD22 ' S' ' 87' ' ' ASN . . . -108.51 -42.36 0.12 Allowed Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' S' ' 92' ' ' ALA . 4.0 Cg_exo -66.68 -31.02 41.16 Favored 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.254 1.303 . . . . 0.0 112.429 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.93 -8.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.978 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' S' ' 93' ' ' PRO . 2.9 mt-10 -99.89 -17.1 17.77 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.84 -39.16 20.27 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.741 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -54.19 -31.74 53.75 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.32 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -66.19 0.37 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.696 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -86.48 -54.69 4.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 118.736 -1.186 . . . . 0.0 113.368 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 tp -36.19 -58.82 0.66 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -49.62 -26.73 3.86 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.525 -1.27 . . . . 0.0 111.785 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -83.36 -28.33 29.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.987 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 1.1 p -91.5 -35.94 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.386 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 0.1 OUTLIER -83.87 -49.71 8.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.748 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.84 6.61 2.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.325 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp 46.79 -138.53 0.63 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.673 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 116.327 -1.797 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.778 0.323 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -147.13 63.2 7.93 Favored Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.526 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.73 102.87 0.31 Allowed 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.403 1.402 . . . . 0.0 111.236 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' R' ' 7' ' ' TYR . 0.8 OUTLIER -66.13 135.15 54.17 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -152.75 15.82 0.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.696 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.1 95.95 2.81 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.78 -19.65 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.708 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtm -67.02 -46.48 74.33 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.802 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.03 -153.47 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.788 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.71 178.39 6.76 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.7 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.11 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.636 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -149.62 80.45 1.39 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.752 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -164.6 38.85 0.08 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -84.12 -74.2 0.39 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.281 -0.967 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' R' ' 20' ' ' LEU . 2.2 mt-10 -51.1 -32.95 24.09 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.657 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 49.1 t-105 -57.61 -1.34 0.09 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' R' ' 18' ' ' GLU . 81.7 mt -119.99 -64.82 1.22 Allowed 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.925 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -59.67 -29.73 68.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -89.29 -50.37 6.17 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.509 -1.276 . . . . 0.0 112.143 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.37 -30.86 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 117.717 -1.593 . . . . 0.0 108.736 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.32 -49.44 67.04 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 118.766 -1.173 . . . . 0.0 109.241 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' R' ' 25' ' ' LEU . 8.2 mp -61.51 -31.82 71.84 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -53.27 -55.67 22.74 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.217 -1.393 . . . . 0.0 109.457 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -59.82 -29.81 68.51 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.033 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -60.93 -43.55 98.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.425 -1.31 . . . . 0.0 109.418 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -53.9 52.63 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' R' ' 32' ' ' ASN . 11.7 m-85 -45.01 -71.4 0.08 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.583 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' R' ' 30' ' ' TYR . 2.1 tp60 8.69 -69.15 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.872 2.608 . . . . 0.0 110.968 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.674 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.8 OUTLIER -91.63 -90.02 0.17 Allowed 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.43 21.47 0.55 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 4.0 mm? -81.99 12.09 4.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 117.123 -1.831 . . . . 0.0 113.167 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.819 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 2.2 p-80 -77.24 -52.23 9.57 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 117.154 -1.818 . . . . 0.0 110.418 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.522 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 3.8 mt -32.12 -57.46 0.44 Allowed Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.85 -72.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 119.224 0.759 . . . . 0.0 112.094 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -39.83 59.47 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.556 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.9 tp -60.37 -41.46 93.77 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.61 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -23.69 67.38 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.45 19.47 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 118.431 -1.307 . . . . 0.0 109.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 5.0 ttp -106.28 55.75 0.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -86.79 9.6 18.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.464 ' C ' ' O ' ' R' ' 43' ' ' LEU . 77.8 p -34.01 147.14 0.12 Allowed Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.564 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.05 -31.7 36.07 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.406 1.404 . . . . 0.0 111.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -38.41 76.95 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.196 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.17 -56.31 4.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' R' ' 50' ' ' ALA . 13.5 ttp180 -50.27 -52.25 37.89 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.457 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -50.25 -16.45 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' R' ' 48' ' ' ARG . . . -97.35 -46.62 6.02 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.508 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tt -46.5 -60.77 2.15 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.099 -1.04 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.41 -58.03 4.14 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 53' ' ' THR . . . . . 0.555 ' O ' ' N ' ' R' ' 55' ' ' VAL . 53.2 m -56.58 -68.72 0.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.811 -0.756 . . . . 0.0 112.23 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -40.0 -19.28 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.441 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' R' ' 53' ' ' THR . 2.3 t -96.53 -38.07 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 119.716 -0.794 . . . . 0.0 112.602 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' R' ' 57' ' ' ILE . 38.4 mtt85 -64.19 -52.2 60.07 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.141 -1.023 . . . . 0.0 112.519 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.97 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' R' ' 57' ' ' ILE . 17.0 t -34.33 -52.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 124.194 0.934 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.0 -76.8 0.05 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.336 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -51.38 -11.58 0.12 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.269 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' R' ' 57' ' ' ILE . 12.6 mt -77.2 -61.43 1.99 Allowed 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.572 -1.251 . . . . 0.0 111.566 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -77.66 4.6 11.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' R' ' 65' ' ' GLU . 4.5 ttt180 -80.98 16.69 1.4 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.18 22.05 3.88 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.111 -1.519 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' R' ' 63' ' ' ARG . 1.8 pt-20 -71.48 1.0 7.06 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.018 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 17.5 mmm -92.44 -73.57 0.55 Allowed 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.19 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.71 151.71 39.31 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.019 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.94 -17.95 64.02 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.217 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . 0.409 ' C ' ' H ' ' R' ' 71' ' ' LEU . 1.5 mmt-85 -74.5 -37.87 63.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.432 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -81.0 18.18 1.08 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 119.564 -0.855 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' R' ' 69' ' ' ARG . 2.3 tp -75.3 95.62 3.22 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.305 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt 46.79 43.92 13.61 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.781 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -83.8 -85.5 0.13 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.339 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 171.28 -16.74 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.849 -0.741 . . . . 0.0 111.185 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.71 23.77 4.53 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.541 -0.864 . . . . 0.0 112.133 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 37.59 0.02 OUTLIER Glycine 0 N--CA 1.491 2.308 0 C-N-CA 118.901 -1.618 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.36 -31.13 0.2 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.43 70.01 1.27 Allowed Glycine 0 N--CA 1.489 2.179 0 C-N-CA 119.469 -1.348 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.51 -14.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.86 -51.37 13.12 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -15.61 61.46 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.575 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' R' ' 83' ' ' THR . 0.9 OUTLIER -115.65 30.05 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' R' R ' 83' ' ' THR . . . . . 0.442 ' C ' ' O ' ' R' ' 82' ' ' ILE . 7.2 m -32.26 -55.7 0.32 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.855 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.89 -62.52 1.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.217 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.9 75.05 0.25 Allowed Glycine 0 N--CA 1.489 2.213 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.477 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 13.6 m -151.27 123.52 8.29 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.379 -0.928 . . . . 0.0 110.803 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.3 OUTLIER -165.46 86.14 0.38 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.604 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' R' R ' 88' ' ' SER . . . . . 0.407 ' O ' ' O ' ' R' ' 87' ' ' ASN . 1.9 t 61.74 122.12 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.65 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . 0.574 ' H ' ' CD2' ' R' ' 89' ' ' LEU . 1.7 pt? -113.49 -2.84 13.79 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -94.27 0.72 55.81 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.228 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.88 64.02 0.13 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.321 -1.352 . . . . 0.0 112.401 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . 0.445 ' H ' ' HD2' ' R' ' 93' ' ' PRO . . . -158.46 -53.79 0.01 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 C-N-CA 118.639 -1.224 . . . . 0.0 112.086 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.445 ' HD2' ' H ' ' R' ' 92' ' ' ALA . 10.2 Cg_endo -75.69 -34.52 3.22 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 120.422 0.748 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.34 -19.28 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.64 -16.39 24.36 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.649 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' R' ' 98' ' ' GLN . 30.1 tp -87.14 -43.26 12.39 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -20.4 1.36 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' R' ' 96' ' ' LEU . 27.6 mt-30 -51.75 -61.66 2.12 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.523 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -88.21 -50.95 6.04 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 118.613 -1.235 . . . . 0.0 112.213 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' R' ' 102' ' ' GLU . 2.1 tp -41.72 -38.59 1.48 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.56 -3.94 1.71 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' R' ' 100' ' ' LEU . 21.7 mt-10 -113.1 -28.33 7.7 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.352 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -85.04 -28.01 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.964 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.68 -11.8 10.95 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.622 -0.831 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.65 -62.75 1.53 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.008 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -92.85 67.23 4.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 116.335 -1.793 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . 0.44 ' O ' ' OG ' ' S' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.972 0.415 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 5' ' ' SER . . . . . 0.458 ' C ' ' H ' ' S' ' 7' ' ' TYR . 5.1 m -170.13 68.13 0.56 Allowed Pre-proline 0 N--CA 1.487 1.407 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -58.56 -4.8 2.0 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 121.557 1.504 . . . . 0.0 111.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.458 ' H ' ' C ' ' S' ' 5' ' ' SER . 60.1 m-85 -91.91 -108.05 0.1 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.022 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 37.6 m -98.29 108.63 21.37 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 178.2 0.21 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.437 -0.905 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . 45.98 85.72 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.19 145.61 46.16 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.542 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.87 21.72 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.427 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -159.73 -8.3 0.06 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.444 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -114.72 124.23 51.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -142.61 153.5 43.54 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.34 -10.45 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.66 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' S' ' 20' ' ' LEU . 0.9 OUTLIER -44.5 -64.76 0.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.536 0.684 . . . . 0.0 111.851 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -42.67 -12.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' S' ' 18' ' ' GLU . 78.9 mt -116.81 -67.66 0.98 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.792 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -45.8 -47.1 15.77 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.481 ' C ' ' N ' ' S' ' 24' ' ' ASP . 32.4 m-85 -83.38 -49.17 9.6 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.141 -1.424 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -48.82 -16.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.2 OUTLIER -71.94 -40.82 68.45 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.628 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.54 -27.51 66.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.209 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -35.56 64.91 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.121 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -47.93 58.31 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.863 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.17 -47.44 9.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.74 -46.01 73.34 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.667 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.741 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.7 m-85 -51.69 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.563 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.7 tt0 -16.65 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.315 1.635 . . . . 0.0 112.899 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.609 ' O ' ' N ' ' S' ' 34' ' ' LEU . 25.0 m120 -74.5 32.47 0.09 Allowed 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.741 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.9 OUTLIER 32.1 27.19 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.049 0.843 . . . . 0.0 111.695 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.1 mp -97.14 16.18 20.46 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.002 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.741 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 6.5 p-80 -91.24 -7.04 52.37 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -52.94 24.78 Favored Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.276 -1.37 . . . . 0.0 111.979 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -60.58 -69.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.946 0 N-CA-C 110.023 -0.799 . . . . 0.0 110.023 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.23 -56.72 2.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.946 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -43.76 -47.74 7.99 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.55 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -14.23 59.4 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 55.0 tp -42.87 -56.2 3.36 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.753 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 3.4 tpt -152.76 64.99 0.79 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.604 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.8 pp -67.71 -9.1 40.74 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.175 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.428 ' O ' ' O ' ' S' ' 43' ' ' LEU . 2.2 m 59.06 133.39 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.467 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' S' ' 46' ' ' ASP . 2.2 Cg_endo -58.2 -52.25 6.1 Favored 'Trans proline' 0 C--O 1.217 -0.529 0 C-N-CA 120.523 0.816 . . . . 0.0 111.3 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' S' ' 45' ' ' PRO . 0.0 OUTLIER -40.49 -42.65 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.206 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' S' ' 51' ' ' LEU . 6.2 tp10 -69.05 -46.97 66.52 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.855 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -37.55 -46.98 0.89 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.41 -53.55 13.69 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.36 16.5 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -68.31 -68.51 0.39 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.09 -50.56 33.18 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 118.932 -1.604 . . . . 0.0 109.539 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -38.05 58.46 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.858 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . 0.441 ' C ' ' CD ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.59 -54.92 32.39 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.209 -0.997 . . . . 0.0 111.164 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -50.41 -29.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.257 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -59.24 -54.53 45.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.784 -1.166 . . . . 0.0 111.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.51 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.1 pt -45.86 -46.32 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 118.599 -1.24 . . . . 0.0 110.582 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.51 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 21.4 t -50.79 -59.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -53.12 -55.44 24.04 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.02 -43.82 66.83 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.088 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.85 -51.98 52.74 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.398 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . 0.531 ' C ' ' H ' ' S' ' 64' ' ' GLY . 4.2 tp -50.52 -34.4 25.17 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.489 -1.284 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -67.17 9.22 0.23 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.149 -1.02 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -79.83 -1.96 87.8 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.404 -1.379 . . . . 0.0 110.581 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.09 -48.17 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.247 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.04 3.84 21.8 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.319 -0.952 . . . . 0.0 111.935 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.69 152.74 44.15 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -80.23 -76.16 0.23 Allowed 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -126.26 28.27 6.06 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.48 7.58 28.67 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -46.8 28.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.639 -1.224 . . . . 0.0 109.831 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.06 75.02 1.22 Allowed 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -92.36 15.56 13.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.647 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' S' ' 76' ' ' GLY . 66.1 mm-40 -124.75 49.7 1.81 Allowed 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.788 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.27 -2.42 3.03 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' S' ' 74' ' ' GLU . . . -94.27 -58.86 1.19 Allowed Glycine 0 N--CA 1.492 2.395 0 C-N-CA 119.367 -1.397 . . . . 0.0 110.751 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.43 159.09 16.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.447 -0.901 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' S' ' 80' ' ' ALA . . . 107.06 -5.37 36.23 Favored Glycine 0 N--CA 1.493 2.473 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.443 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' S' ' 81' ' ' THR . 0.7 OUTLIER -79.48 18.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 119.434 -0.906 . . . . 0.0 110.685 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' S' ' 78' ' ' GLY . . . -70.81 9.57 0.65 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.196 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 81' ' ' THR . . . . . 0.469 ' H ' ' C ' ' S' ' 79' ' ' ILE . 6.9 m -126.24 -60.83 1.25 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -47.81 -73.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.453 ' O ' ' C ' ' S' ' 84' ' ' ARG . 0.2 OUTLIER -100.68 29.26 4.59 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.579 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -29.9 -46.95 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.47 -10.45 0.02 OUTLIER Glycine 0 N--CA 1.491 2.334 0 C-N-CA 118.928 -1.606 . . . . 0.0 110.796 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -153.99 128.95 9.53 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -75.62 -123.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.274 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.71 166.55 24.29 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . 0.624 ' H ' ' CD2' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -55.54 -57.58 11.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.908 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -100.12 -68.25 0.82 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.264 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.88 -57.01 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.095 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.64 153.62 5.14 Favored Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.54 -171.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 120.878 1.052 . . . . 0.0 111.75 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' S' ' 96' ' ' LEU . 2.4 t -129.02 -50.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -0.43 6.22 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.157 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' S' ' 94' ' ' VAL . 1.7 tm? -77.37 -57.06 4.03 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -48.63 -35.85 14.59 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.171 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.61 -70.24 0.15 Allowed 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.985 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' S' ' 101' ' ' GLU . 26.8 t90 -50.13 -68.02 0.21 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 117.572 -1.651 . . . . 0.0 110.106 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' S' ' 99' ' ' TRP . 4.2 tp -28.43 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.915 -1.039 . . . . 0.0 112.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.9 tt0 -70.3 -57.77 4.5 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -50.08 -26.74 4.72 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.68 -34.09 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 118.535 -1.266 . . . . 0.0 113.304 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.84 -36.12 16.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.561 -1.256 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.74 -51.61 37.72 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 118.42 -1.312 . . . . 0.0 110.26 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 37.5 tttt 47.37 -146.86 0.21 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.17 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 116.37 -1.776 . . . . 0.0 110.793 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.943 0.401 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -154.08 76.65 5.77 Favored Pre-proline 0 N--CA 1.49 1.529 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -66.78 -8.96 22.92 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.454 1.436 . . . . 0.0 112.02 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.29 -178.63 7.31 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.213 -0.995 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 5.1 p -154.02 172.45 17.47 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.701 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.43 63.45 1.35 Allowed 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.96 97.95 3.76 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.825 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 27.5 ttp -84.39 135.56 34.23 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.908 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.6 108.08 19.65 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.96 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.65 -3.01 52.39 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -51.44 -33.88 32.72 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.69 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' R' ' 16' ' ' HIS . 1.0 OUTLIER -131.02 109.74 10.73 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.116 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' R' ' 16' ' ' HIS . 1.9 t60 169.07 -18.77 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.365 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.73 10.78 37.74 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.762 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -130.42 -68.26 0.7 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.403 ' CZ3' ' HG ' ' S' ' 51' ' ' LEU . 69.0 t-105 -41.43 -30.89 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.01 -57.47 2.02 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.997 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -52.08 -29.29 20.82 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.08 -57.66 3.0 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 117.742 -1.583 . . . . 0.0 112.904 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.58 -27.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 C-N-CA 117.832 -1.547 . . . . 0.0 109.971 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -36.26 77.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.128 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.34 -45.53 59.48 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.065 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tp -44.69 -47.92 10.63 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.268 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.65 72.94 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.168 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -47.25 85.87 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.49 -50.96 56.6 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 118.419 -1.313 . . . . 0.0 110.189 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -43.98 -53.48 6.19 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.121 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' R' ' 30' ' ' TYR . 66.3 tt0 -3.83 -66.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 111.681 -2.509 . . . . 0.0 111.023 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 3.0 t-20 -101.46 -92.37 0.31 Allowed 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 116.936 -1.905 . . . . 0.0 108.505 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 12.8 m-20 -132.31 15.42 4.57 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 0.2 OUTLIER -81.88 4.45 22.36 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.805 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 0.0 OUTLIER -69.69 -55.07 10.98 Favored 'General case' 0 C--N 1.287 -2.15 0 C-N-CA 117.048 -1.861 . . . . 0.0 109.924 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.514 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.1 tp -38.56 -56.72 2.15 Favored Pre-proline 0 N--CA 1.505 2.281 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.73 -59.91 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 CA-C-N 120.101 1.072 . . . . 0.0 111.699 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.1 OUTLIER -76.45 -49.32 16.93 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.516 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' R' ' 35' ' ' HIS . 30.1 tp -43.67 -36.97 2.39 Favored 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.801 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' R' ' 41' ' ' LEU . 20.3 t-20 -74.14 -29.21 61.69 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.439 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' R' ' 40' ' ' ASN . 0.1 OUTLIER -39.03 -37.36 0.36 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.551 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -116.26 62.36 0.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -85.32 -5.88 59.28 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.377 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -34.94 161.32 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.786 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.65 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.21 -18.61 18.57 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.259 1.306 . . . . 0.0 111.681 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -68.9 -37.53 79.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.925 -1.11 . . . . 0.0 111.333 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.8 -44.67 12.28 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.664 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . 0.494 HH21 ' NH2' ' S' ' 15' ' ' ARG . 54.5 ttm-85 -51.7 -43.37 62.75 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.059 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -72.7 -35.13 67.56 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.51 48.4 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.389 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.14 -57.76 3.57 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 118.643 -1.223 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.26 -48.49 32.98 Favored Glycine 0 N--CA 1.484 1.886 0 C-N-CA 119.237 -1.458 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -64.76 -44.42 90.14 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.677 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -65.01 -16.1 63.06 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.511 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.58 -33.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 121.832 0.825 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -61.52 -59.28 5.47 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.548 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' R' ' 61' ' ' LEU . 0.4 OUTLIER -46.88 -68.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.117 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -36.86 -59.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 119.443 -0.903 . . . . 0.0 112.734 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -62.69 -34.74 77.76 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.643 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -89.74 -11.18 43.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.411 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' R' ' 61' ' ' LEU . 0.1 OUTLIER -81.79 -36.17 28.74 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 118.108 -1.437 . . . . 0.0 110.2 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' R' ' 64' ' ' GLY . 6.4 tp -84.17 -26.44 28.8 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.144 -1.822 . . . . 0.0 110.231 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.48 2.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.139 -1.024 . . . . 0.0 110.777 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -72.23 -13.41 76.67 Favored Glycine 0 N--CA 1.484 1.855 0 C-N-CA 119.126 -1.512 . . . . 0.0 109.544 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.68 -19.97 4.77 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.171 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 66' ' ' MET . . . . . 0.53 ' C ' ' H ' ' R' ' 68' ' ' GLN . 4.7 tpp -100.77 44.2 1.02 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.679 0.752 . . . . 0.0 109.03 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 67' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' R' ' 67' ' ' SER . 0.1 OUTLIER -47.73 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.667 -1.151 . . . . 0.0 112.829 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' R' ' 66' ' ' MET . 4.8 tt0 -63.65 -57.59 9.59 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.58 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -80.26 12.8 2.68 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.513 -0.875 . . . . 0.0 111.57 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 48.94 42.06 19.86 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.34 65.78 2.3 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -166.41 -21.95 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.921 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -118.35 -58.79 1.95 Allowed 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' R' ' 76' ' ' GLY . 24.9 mt-10 -70.61 -68.36 0.43 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.401 -0.919 . . . . 0.0 111.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.45 23.28 0.12 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.77 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' R' ' 74' ' ' GLU . . . -89.72 -21.17 40.95 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.447 -1.359 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.4 12.93 3.72 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.272 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.02 113.78 0.39 Allowed Glycine 0 N--CA 1.486 1.979 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.229 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . 0.416 ' H ' HD11 ' R' ' 79' ' ' ILE . 2.9 mp -98.51 -27.28 3.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.606 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.95 5.33 19.46 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.066 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 23.2 p -100.28 -44.13 6.04 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.02 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.86 -16.55 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 83' ' ' THR . . . . . 0.41 ' O ' ' C ' ' R' ' 84' ' ' ARG . 0.2 OUTLIER -124.67 23.53 8.01 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.636 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' R' ' 83' ' ' THR . 0.2 OUTLIER -35.71 -66.3 0.21 Allowed 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.346 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.39 95.43 0.13 Allowed Glycine 0 N--CA 1.493 2.484 0 C-N-CA 118.742 -1.694 . . . . 0.0 111.257 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 91.5 p -89.55 14.46 11.45 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.58 151.49 45.9 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.237 -0.985 . . . . 0.0 111.335 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.95 177.45 7.83 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.904 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.72 -12.63 60.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.486 -1.286 . . . . 0.0 111.766 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -100.84 -39.19 7.92 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.454 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 62.94 2.43 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.5 69.63 13.81 Favored Pre-proline 0 N--CA 1.491 1.603 0 C-N-CA 119.006 -1.078 . . . . 0.0 112.655 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' R' ' 95' ' ' GLU . 2.7 Cg_exo -64.86 -14.88 47.48 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.714 1.609 . . . . 0.0 110.437 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.16 -7.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' R' ' 93' ' ' PRO . 65.8 mt-10 -84.09 -27.91 27.91 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.965 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -44.59 62.89 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.279 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -50.96 -24.53 3.73 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.776 -0.769 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.75 -65.63 0.64 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.019 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . 0.448 ' HE1' ' CB ' ' S' ' 32' ' ' ASN . 35.2 t90 -65.17 -56.17 14.41 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.078 -1.449 . . . . 0.0 111.239 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.36 -44.2 1.29 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.317 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.97 -33.76 76.07 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 118.296 -1.361 . . . . 0.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.51 -41.37 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.424 -0.91 . . . . 0.0 113.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . 0.449 ' O ' ' OG ' ' R' ' 107' ' ' SER . 2.0 p -82.78 -41.99 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' R' ' 107' ' ' SER . 1.1 mp -79.23 -48.7 13.72 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 117.977 -1.489 . . . . 0.0 112.551 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.16 -43.56 87.49 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.904 -0.718 . . . . 0.0 112.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -74.47 -24.92 59.11 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' R' R ' 107' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' R' ' 103' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 116.424 -1.751 . . . . 0.0 111.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.65 160.34 2.84 Favored Pre-proline 0 C--N 1.303 -1.447 0 C-N-CA 118.684 -1.206 . . . . 0.0 109.55 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -52.44 117.13 3.34 Favored 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.19 1.26 . . . . 0.0 111.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.71 -25.91 0.06 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.236 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -72.53 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.129 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.76 126.57 4.49 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.175 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.95 147.95 23.14 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.19 64.7 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.973 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.22 13.12 0.3 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.787 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -154.04 1.91 0.24 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.25 -0.98 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.76 49.84 0.86 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.085 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . 0.494 ' NH2' HH21 ' R' ' 48' ' ' ARG . 0.0 OUTLIER -84.26 100.24 11.09 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.789 -1.164 . . . . 0.0 110.974 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -160.6 58.62 0.33 Allowed 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.778 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -94.85 -28.01 15.44 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.6 mt-10 -99.21 -44.97 6.05 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.938 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . 0.411 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 61.2 t-105 -44.92 -15.91 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.786 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' S' ' 22' ' ' PHE . 19.5 mt -114.08 -70.29 0.81 Allowed 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.578 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' S' ' 20' ' ' LEU . 8.2 ttt180 -34.07 -30.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' S' ' 20' ' ' LEU . 66.5 m-85 -101.19 -44.98 5.51 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.31 -18.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 117.13 -1.828 . . . . 0.0 109.655 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -33.23 73.71 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.62 -36.27 80.5 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.545 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . 0.43 ' CD2' ' HH ' ' R' ' 30' ' ' TYR . 3.2 tp -48.72 -43.88 37.76 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.484 -1.287 . . . . 0.0 109.551 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.54 -44.7 77.01 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . 0.698 ' N ' HD21 ' S' ' 28' ' ' ASN . 1.0 OUTLIER -48.96 -53.96 17.58 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.861 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.36 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.133 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' C ' ' O ' ' S' ' 29' ' ' ALA . 23.7 m-85 -12.93 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.325 -1.35 . . . . 0.0 111.279 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' S' ' 29' ' ' ALA . 31.0 tt0 -69.19 -39.22 78.82 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' S' ' 29' ' ' ALA . 6.7 m-80 -100.77 -19.3 16.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.951 ' O ' ' N ' ' S' ' 35' ' ' HIS . 32.0 t0 -104.37 15.64 27.81 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.694 ' O ' ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER 16.03 29.05 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.569 -179.443 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.951 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.7 OUTLIER 9.85 12.67 0.0 OUTLIER 'General case' 0 C--O 1.182 -2.465 0 C-N-CA 129.884 3.274 . . . . 0.0 116.708 -178.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.694 ' N ' ' O ' ' S' ' 34' ' ' LEU . 1.9 mm? -73.05 -51.54 6.06 Favored Pre-proline 0 C--N 1.283 -2.288 0 C-N-CA 115.493 -2.483 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.9 Cg_exo -59.17 -54.44 2.66 Favored 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 120.939 1.092 . . . . 0.0 114.802 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -79.15 -44.72 21.4 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.329 -1.349 . . . . 0.0 111.801 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 46.3 tp -50.46 -36.0 31.51 Favored 'General case' 0 N--CA 1.516 2.845 0 C-N-CA 116.609 -2.036 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' S' ' 41' ' ' LEU . 0.6 OUTLIER -59.65 -53.1 61.96 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.628 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' S' ' 40' ' ' ASN . 0.2 OUTLIER -29.3 -45.29 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.64 179.779 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 42' ' ' MET . . . . . 0.484 ' C ' ' H ' ' S' ' 44' ' ' THR . 58.9 mmm -82.64 40.91 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.546 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' S' ' 40' ' ' ASN . 1.0 OUTLIER -68.16 11.17 0.17 Allowed 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.153 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.484 ' H ' ' C ' ' S' ' 42' ' ' MET . 20.1 p -52.09 152.49 5.65 Favored Pre-proline 0 N--CA 1.495 1.782 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -58.49 -40.59 73.14 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 121.068 1.179 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.9 80.1 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.674 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.43 -58.39 7.8 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -52.09 -47.82 65.04 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.017 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.81 -22.84 64.56 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.678 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.32 -12.19 24.79 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.023 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 1.9 tm? -81.37 -69.93 0.57 Allowed 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.73 -38.99 10.35 Favored Glycine 0 N--CA 1.483 1.807 0 C-N-CA 119.487 -1.34 . . . . 0.0 110.059 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -66.66 -48.62 68.79 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -50.86 -20.97 1.47 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.35 -32.81 6.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.239 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.44 -27.81 66.51 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.425 -0.91 . . . . 0.0 112.982 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -72.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 49.3 t -48.66 -63.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -46.43 -68.41 0.2 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.419 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' S' ' 61' ' ' LEU . 55.0 tt0 -48.25 -50.5 29.44 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.757 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' S' ' 60' ' ' GLU . 3.6 mt -42.76 -49.63 5.68 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.52 -39.38 76.41 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.869 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' S' ' 65' ' ' GLU . 0.4 OUTLIER -81.58 -3.23 52.74 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.076 -1.05 . . . . 0.0 109.108 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.17 -1.19 3.83 Favored Glycine 0 N--CA 1.489 2.206 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' S' ' 63' ' ' ARG . 24.8 tt0 -80.67 -52.72 7.24 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 66' ' ' MET . . . . . 0.455 ' O ' ' N ' ' S' ' 68' ' ' GLN . 2.1 tpt -71.47 -36.46 71.18 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m -62.48 79.98 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.485 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' S' ' 66' ' ' MET . 11.8 tt0 -64.45 -54.42 32.92 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.805 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -110.69 -3.13 15.99 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.249 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -95.21 12.36 29.13 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.264 -0.975 . . . . 0.0 111.198 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.17 129.82 40.42 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 49.3 mttt 49.25 18.68 0.26 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.343 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.56 -94.96 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.031 -1.067 . . . . 0.0 109.116 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' S' ' 76' ' ' GLY . 15.1 pt-20 -98.84 -32.63 11.25 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.544 -0.862 . . . . 0.0 109.375 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.19 -3.84 0.44 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' S' ' 74' ' ' GLU . . . -157.6 43.17 0.51 Allowed Glycine 0 N--CA 1.485 1.912 0 C-N-CA 119.086 -1.53 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.62 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.521 -0.871 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' S' ' 76' ' ' GLY . . . 126.92 123.15 2.62 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' S' ' 81' ' ' THR . 0.7 OUTLIER -117.68 -5.75 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -3.41 0.6 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.071 -1.052 . . . . 0.0 111.584 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 81' ' ' THR . . . . . 0.435 ' H ' ' C ' ' S' ' 79' ' ' ILE . 1.1 t -126.06 -20.69 4.48 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 119.671 -0.812 . . . . 0.0 112.7 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 86.4 mt -82.96 -72.07 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.489 ' O ' ' C ' ' S' ' 84' ' ' ARG . 52.6 m -107.33 24.58 12.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' S' ' 83' ' ' THR . 2.2 ptt85 -9.37 -68.47 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.293 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.9 -118.77 0.84 Allowed Glycine 0 N--CA 1.491 2.353 0 C-N-CA 118.933 -1.603 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 1.1 p 67.26 147.02 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.62 116.56 30.08 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.704 -0.799 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.46 -171.57 3.88 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . 0.655 ' H ' ' CD1' ' S' ' 89' ' ' LEU . 0.0 OUTLIER -70.2 -79.34 0.06 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.862 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.62 ' H ' ' CD2' ' S' ' 89' ' ' LEU . 32.8 mmtm -95.2 -78.57 0.45 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.551 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.24 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.144 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.07 159.33 47.61 Favored Pre-proline 0 N--CA 1.487 1.392 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.95 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -61.9 -168.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.984 1.123 . . . . 0.0 111.376 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -111.79 -19.08 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.182 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.4 4.18 36.62 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.431 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tt -82.82 -56.73 3.65 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -29.76 4.97 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.926 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -55.31 -64.56 0.8 Allowed 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.103 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' S' ' 100' ' ' LEU . 33.6 t90 -63.82 -65.05 0.73 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.552 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.1 tp -26.45 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 114.496 -1.229 . . . . 0.0 113.843 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' S' ' 99' ' ' TRP . 4.0 mt-10 -63.39 -51.4 66.0 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.427 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' S' ' 99' ' ' TRP . 45.2 mt-10 -63.87 -20.2 65.65 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.3 p -96.84 -49.48 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.391 -1.324 . . . . 0.0 112.723 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' S' ' 106' ' ' LYS . 95.9 mt -84.39 -69.42 0.65 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.874 -1.131 . . . . 0.0 111.885 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tp -44.91 -23.21 0.12 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' S' ' 104' ' ' LEU . 0.4 OUTLIER -122.6 127.53 49.51 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.884 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 116.387 -1.768 . . . . 0.0 111.481 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t 48.33 68.2 3.75 Favored Pre-proline 0 N--CA 1.488 1.442 0 C-N-CA 119.472 -0.891 . . . . 0.0 111.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' R' ' 7' ' ' TYR . 2.1 Cg_endo -65.7 112.55 2.22 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 121.677 1.585 . . . . 0.0 111.32 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . 0.406 ' CB ' ' O ' ' R' ' 6' ' ' PRO . 1.5 t80 68.99 177.64 0.26 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m 52.86 72.71 0.4 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.62 132.62 14.28 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.321 -0.951 . . . . 0.0 110.789 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.83 143.07 2.25 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.718 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 1.9 ttt -159.76 -11.17 0.06 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . 55.83 -172.04 0.07 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.766 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 50.79 25.36 2.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.32 92.65 1.06 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -157.67 28.24 0.28 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.289 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' R' ' 18' ' ' GLU . 4.0 m-70 -145.04 -45.35 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.399 -0.921 . . . . 0.0 111.426 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -72.61 25.13 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.392 -0.923 . . . . 0.0 111.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' R' ' 16' ' ' HIS . 8.3 pt-20 -166.72 -34.03 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.703 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.419 ' HE1' HD22 ' S' ' 36' ' ' LEU . 71.6 t-105 -52.18 -26.83 12.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.98 -53.92 2.65 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -38.8 -48.73 1.56 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.727 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.94 -49.36 9.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.203 -0.999 . . . . 0.0 112.326 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.19 -30.91 13.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.747 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -29.38 70.0 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.284 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.26 -26.61 58.96 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.58 -69.61 0.11 Allowed 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.914 -1.114 . . . . 0.0 111.265 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -21.72 11.49 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.027 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.54 56.09 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.501 -1.679 . . . . 0.0 108.704 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.41 -49.35 72.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.926 -1.509 . . . . 0.0 109.04 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.8 m-85 -46.73 -54.96 8.61 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 117.855 -1.538 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.5 tt0 -4.19 -56.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 126.852 2.595 . . . . 0.0 112.574 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.9 t-20 -109.02 -93.06 0.42 Allowed 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.316 -1.754 . . . . 0.0 109.035 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -134.21 17.41 3.75 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.15 7.08 33.45 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 116.66 -2.016 . . . . 0.0 115.958 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.608 ' HD1' ' H ' ' R' ' 36' ' ' LEU . 0.0 OUTLIER -69.86 -69.98 0.31 Allowed 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 117.674 -1.61 . . . . 0.0 110.76 179.534 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.608 ' H ' ' HD1' ' R' ' 35' ' ' HIS . 2.8 mm? -28.18 -64.73 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -57.16 -68.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 120.499 0.799 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' R' ' 41' ' ' LEU . 0.4 OUTLIER -58.28 -64.18 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.11 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' R' ' 35' ' ' HIS . 29.4 tp -27.45 -40.27 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 124.419 1.074 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' R' ' 38' ' ' LEU . 1.9 t30 -63.11 -52.2 63.52 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.581 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 38' ' ' LEU . 5.1 tp -55.11 -8.58 0.3 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.32 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 42' ' ' MET . . . . . 0.522 ' O ' ' NE ' ' S' ' 54' ' ' ARG . 3.7 mtt -104.47 -53.78 2.65 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.544 -0.863 . . . . 0.0 111.701 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' R' ' 44' ' ' THR . 8.5 mt -77.69 -55.99 4.89 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.807 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' R' ' 43' ' ' LEU . 0.4 OUTLIER 75.18 152.87 0.14 Allowed Pre-proline 0 N--CA 1.495 1.804 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.669 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' R' ' 48' ' ' ARG . 6.0 Cg_exo -55.14 -55.46 3.15 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.331 1.354 . . . . 0.0 112.49 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' R' ' 45' ' ' PRO . 15.8 t70 -40.04 -33.08 0.2 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.044 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . 0.421 ' OE2' ' OE1' ' S' ' 47' ' ' GLU . 31.8 tt0 -94.68 -24.32 17.2 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.682 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' R' ' 45' ' ' PRO . 44.6 ttt-85 -52.04 -45.3 64.62 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -45.25 -21.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.934 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' R' ' 48' ' ' ARG . . . -91.01 -46.24 8.26 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 50' ' ' ALA . 4.9 tt -43.08 -49.04 6.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.484 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.69 -56.76 14.36 Favored Glycine 0 N--CA 1.486 1.986 0 C-N-CA 119.117 -1.516 . . . . 0.0 109.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -43.61 -37.02 2.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.83 -39.9 91.28 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.184 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' R' ' 59' ' ' GLU . 0.3 OUTLIER -62.56 -22.35 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.099 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -62.64 -64.12 1.02 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.441 HG21 ' H ' ' R' ' 58' ' ' VAL . 0.8 OUTLIER -50.81 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.594 -1.242 . . . . 0.0 112.444 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.441 ' H ' HG21 ' R' ' 57' ' ' ILE . 0.4 OUTLIER -40.48 -47.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.607 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' R' ' 62' ' ' LEU . 5.3 mm-40 -63.1 -64.4 0.92 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.593 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.4 tp10 -35.62 -32.49 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.319 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' R' ' 59' ' ' GLU . 83.4 mt -75.82 -42.48 49.67 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.171 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' R' ' 59' ' ' GLU . 3.7 tt -44.23 -32.21 1.21 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.218 -0.993 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -45.09 -66.4 0.4 Allowed 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.94 -88.61 1.38 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -170.13 -43.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.55 12.04 1.01 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.707 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t 44.49 69.53 0.42 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.481 -0.887 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.72 -31.93 73.38 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -84.26 -62.69 1.5 Allowed 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' R' ' 72' ' ' LYS . 41.7 mt-10 -89.98 42.16 1.08 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -46.95 95.38 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.249 -0.98 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' R' ' 70' ' ' GLU . 49.0 mttt 50.48 83.21 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.511 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -37.3 21.56 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.344 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 55.43 39.96 31.24 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.189 -1.005 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -69.56 0.31 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.18 64.54 0.08 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.867 -1.158 . . . . 0.0 110.498 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.53 -20.46 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.75 -14.36 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . 0.492 ' C ' ' H ' ' R' ' 81' ' ' THR . 1.0 OUTLIER -94.67 -21.95 5.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.367 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.7 -9.37 0.12 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 81' ' ' THR . . . . . 0.492 ' H ' ' C ' ' R' ' 79' ' ' ILE . 0.7 OUTLIER -103.56 -71.86 0.72 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.107 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.33 -22.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.262 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 83' ' ' THR . . . . . 0.411 ' O ' ' O ' ' R' ' 84' ' ' ARG . 14.6 t -86.7 21.93 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' R' ' 83' ' ' THR . 7.9 ttt180 -44.28 -94.03 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.47 -77.24 1.24 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.288 -1.434 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 9.4 m 47.52 -103.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.366 -0.934 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -55.68 168.92 0.37 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.45 -0.9 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 1.6 p -131.29 -31.67 1.62 Allowed 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.255 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.22 -57.1 2.96 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.097 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.75 -48.39 81.35 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.368 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.17 -64.09 0.89 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 45.58 72.08 1.35 Allowed Pre-proline 0 C--N 1.304 -1.395 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.52 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -64.01 -15.28 48.32 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.263 1.308 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.98 -12.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.339 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.48 -10.47 46.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -93.04 -43.62 8.8 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.101 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -51.47 -17.52 0.82 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.562 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' R' ' 96' ' ' LEU . 10.7 mm100 -54.88 -59.62 4.48 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -86.99 -55.65 3.73 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.612 -1.235 . . . . 0.0 111.846 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 12.6 tp -40.66 -31.62 0.17 Allowed 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.54 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.33 -32.22 72.19 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -80.2 -24.62 40.14 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.867 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -34.85 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.498 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.57 -55.61 3.43 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' R' ' 107' ' ' SER . 1.3 tp -73.02 4.11 4.65 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 49.42 -91.56 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.456 -0.897 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' R' R ' 107' ' ' SER . . . . . 0.495 ' N ' ' O ' ' R' ' 105' ' ' LEU . 31.2 t . . . . . 0 C--N 1.302 -1.463 0 CA-C-O 116.302 -1.809 . . . . 0.0 110.671 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 45.66 69.01 2.83 Favored Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.9 120.14 7.27 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 121.59 1.527 . . . . 0.0 111.333 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -152.95 147.21 25.69 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 5.9 t 57.26 44.69 21.59 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.701 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' S' ' 11' ' ' MET . . . -60.43 -164.54 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' S' ' 9' ' ' ALA . . . 67.41 -2.12 1.37 Allowed 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 11' ' ' MET . . . . . 0.443 ' H ' ' C ' ' S' ' 9' ' ' ALA . 2.9 ptp -169.07 -175.39 2.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.358 -0.937 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . 56.97 -171.6 0.09 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 55.56 41.18 30.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -142.65 -45.63 0.32 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.723 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' S' ' 17' ' ' GLN . 76.9 mtt180 -65.8 -86.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . 0.427 ' CB ' ' O ' ' S' ' 15' ' ' ARG . 1.0 OUTLIER 69.78 -18.98 0.2 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.616 -0.833 . . . . 0.0 111.488 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' S' ' 15' ' ' ARG . 1.7 mt-30 -61.54 -41.46 97.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.33 -43.2 74.17 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -53.99 -24.79 17.99 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.232 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.19 -23.33 18.6 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.041 -1.064 . . . . 0.0 111.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.67 -62.39 1.65 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.786 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -45.19 -52.5 9.32 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.92 -39.28 79.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.958 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -28.22 20.04 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.86 -1.136 . . . . 0.0 110.781 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.56 -47.48 13.03 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.666 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mp -42.03 -62.5 0.91 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.717 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.54 -63.72 0.89 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.786 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . 0.628 ' N ' HD21 ' S' ' 28' ' ' ASN . 0.8 OUTLIER -45.54 -48.42 14.3 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.09 -33.38 50.76 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.627 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.863 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.3 OUTLIER -50.29 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.954 -179.711 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.663 ' C ' ' H ' ' S' ' 33' ' ' ASP . 22.6 tt0 -17.75 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.778 0 O-C-N 125.597 1.81 . . . . 0.0 110.825 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.823 ' O ' ' N ' ' S' ' 34' ' ' LEU . 17.1 m120 -71.34 32.87 0.05 OUTLIER 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.107 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.863 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.4 OUTLIER 18.76 26.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 124.57 1.169 . . . . 0.0 113.405 -178.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.823 ' N ' ' O ' ' S' ' 32' ' ' ASN . 6.6 mt -85.14 9.49 14.79 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.462 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.539 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 27.8 p-80 -80.25 -19.65 46.35 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.419 HD22 ' HE1' ' R' ' 19' ' ' TRP . 1.4 mt -46.25 -52.1 30.12 Favored Pre-proline 0 N--CA 1.495 1.808 0 C-N-CA 118.459 -1.297 . . . . 0.0 113.999 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.2 Cg_exo -56.28 -66.02 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 120.442 0.761 . . . . 0.0 111.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -56.26 -38.83 71.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.423 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 24.9 tp -53.68 -38.99 64.74 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.121 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -20.66 62.18 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.85 -58.3 6.85 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.997 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 42' ' ' MET . . . . . 0.424 ' O ' ' C ' ' S' ' 43' ' ' LEU . 7.1 mmt -87.56 43.24 1.09 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.78 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.5 OUTLIER -38.06 -54.52 1.33 Allowed 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.123 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.478 ' O ' ' O ' ' S' ' 43' ' ' LEU . 58.8 m 39.95 98.16 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -52.59 -39.23 75.96 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.374 0.716 . . . . 0.0 111.623 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' S' ' 46' ' ' ASP . 0.0 OUTLIER -58.04 -21.93 47.62 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.964 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' OE2' ' R' ' 47' ' ' GLU . 9.1 tp10 -93.11 -35.41 13.21 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -59.16 -56.45 22.0 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.72 -23.85 65.31 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.274 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.62 -22.93 23.23 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.34 -59.22 4.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.977 -1.089 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.1 82.14 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -12.9 4.86 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.042 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' R' ' 42' ' ' MET . 2.3 tpp180 -90.68 -63.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.671 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -17.68 3.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.668 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' S' ' 57' ' ' ILE . 29.6 ttt85 -64.48 -59.07 4.76 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.303 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.498 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.7 OUTLIER -41.07 -46.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.498 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 97.1 t -51.21 -64.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.522 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' S' ' 59' ' ' GLU . 10.6 tt0 -66.76 -12.95 60.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.868 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -95.16 -19.85 19.73 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.874 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' S' ' 61' ' ' LEU . 0.5 OUTLIER -86.77 -30.45 21.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.587 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 tp -88.57 -35.9 16.64 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.616 -1.234 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' S' ' 68' ' ' GLN . 7.4 ttt180 -80.01 13.55 2.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.6 ' C ' ' H ' ' S' ' 66' ' ' MET . . . -48.68 -59.76 6.42 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.543 -1.313 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' S' ' 65' ' ' GLU . 17.7 tt0 54.96 -2.05 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.721 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 66' ' ' MET . . . . . 0.6 ' H ' ' C ' ' S' ' 64' ' ' GLY . 1.7 mtp 53.05 74.5 0.29 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.23 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 67' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' S' ' 66' ' ' MET . 0.6 OUTLIER 162.06 -65.27 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.869 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . 0.521 ' C ' ' H ' ' S' ' 70' ' ' GLU . 2.8 tt0 -72.01 -20.57 61.69 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.084 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' S' ' 71' ' ' LEU . 28.8 ttt180 -52.0 -7.3 0.05 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.256 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' S' ' 68' ' ' GLN . 2.4 tt0 -42.65 -21.57 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' S' ' 69' ' ' ARG . 5.9 mt -75.77 66.54 2.07 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' S' ' 73' ' ' ASN . 16.2 pttp -141.75 -39.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' S' ' 72' ' ' LYS . 12.6 t30 -105.25 -23.66 12.84 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -56.03 -57.5 11.88 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -9.98 55.54 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.371 -0.931 . . . . 0.0 110.772 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.46 82.88 1.13 Allowed Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.352 -1.404 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.41 -29.93 0.09 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.346 -0.941 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 140.14 0.06 OUTLIER Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . 0.49 ' CD1' HH11 ' S' ' 69' ' ' ARG . 2.4 tp -68.84 -21.34 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.89 -5.84 33.76 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.825 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 51.5 m -96.77 -69.77 0.74 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 pt -54.31 -11.79 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 119.437 -0.905 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 37.3 m -96.72 -73.27 0.61 Allowed 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' S' ' 86' ' ' SER . 7.9 ttt180 -50.1 -56.77 9.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.376 -0.929 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 46.91 -92.51 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 C-N-CA 119.266 -1.445 . . . . 0.0 110.345 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 86' ' ' SER . . . . . 0.522 ' N ' ' O ' ' S' ' 84' ' ' ARG . 0.7 OUTLIER -146.87 -9.06 0.46 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.797 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.77 133.7 20.21 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.75 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 88' ' ' SER . . . . . 0.464 ' C ' ' H ' ' S' ' 90' ' ' LYS . 19.7 p -78.48 -171.57 2.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.26 22.88 0.3 Allowed 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.744 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' S' ' 88' ' ' SER . 5.8 mttt -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.22 -77.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.309 -0.956 . . . . 0.0 110.501 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . 42.17 69.24 2.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.813 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -64.98 -164.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.566 1.511 . . . . 0.0 111.802 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 t -110.46 -12.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.063 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.08 -11.01 39.97 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.852 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -39.26 91.06 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.418 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -45.81 -70.19 0.11 Allowed 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.274 -0.97 . . . . 0.0 111.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.542 ' O ' ' N ' ' S' ' 101' ' ' GLU . 31.7 t90 -64.22 -59.94 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.94 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' S' ' 99' ' ' TRP . 13.1 tp -32.01 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.757 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.6 mt-10 -74.46 -41.72 60.32 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.9 mm-40 -70.84 -29.8 66.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.825 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -41.55 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 118.448 -1.301 . . . . 0.0 112.001 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' S' ' 106' ' ' LYS . 1.8 mt -96.1 -60.85 1.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 111.51 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' S' ' 105' ' ' LEU . 3.8 mm? -73.0 18.05 0.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.439 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . 0.548 ' H ' ' C ' ' S' ' 104' ' ' LEU . 20.5 tttt -42.64 135.67 2.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.304 -1.373 0 CA-C-O 116.359 -1.781 . . . . 0.0 110.839 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 164.32 39.86 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.427 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -57.13 118.38 5.23 Favored 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.365 1.377 . . . . 0.0 111.459 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -73.32 -52.4 14.03 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.713 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 53.2 p -58.96 175.49 0.28 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.301 -0.96 . . . . 0.0 110.555 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.8 -69.34 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.269 -0.973 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.81 125.73 5.34 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 11' ' ' MET . . . . . 0.448 ' CG ' ' H ' ' R' ' 12' ' ' ALA . 20.2 ttm 60.96 -140.81 0.52 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . 0.448 ' H ' ' CG ' ' R' ' 11' ' ' MET . . . -55.25 -172.91 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -166.17 41.0 0.06 Allowed 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.95 108.03 3.58 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -129.53 -55.21 1.16 Allowed 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -148.5 43.37 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.462 -0.895 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.77 -21.0 18.41 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' R' ' 18' ' ' GLU . 1.8 pm0 -112.33 -32.23 6.58 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.435 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 67.9 t-105 -48.19 -23.22 0.8 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.61 -64.33 1.3 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.725 -0.79 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -40.97 -44.78 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 39.6 t80 -91.32 -47.08 7.68 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.549 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' R' ' 19' ' ' TRP . 10.7 t -51.6 -15.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 118.148 -1.421 . . . . 0.0 109.686 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 0.4 OUTLIER -85.26 -23.37 28.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.245 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.86 -19.81 36.78 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.327 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' R' ' 26' ' ' LEU . 0.1 OUTLIER -65.02 -40.3 94.67 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.512 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.11 57.67 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.737 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -63.42 -44.78 93.63 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.012 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -64.44 -55.9 17.77 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.405 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -43.19 -53.67 4.92 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 118.756 -1.177 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' R' ' 30' ' ' TYR . 5.1 tt0 -5.61 -61.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 126.963 2.665 . . . . 0.0 111.295 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -102.9 -92.3 0.34 Allowed 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 117.111 -1.836 . . . . 0.0 108.395 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 48.4 m-20 -132.51 15.55 4.46 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.451 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 3.2 mm? -86.98 9.09 20.6 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 116.578 -2.049 . . . . 0.0 116.077 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.2 p-80 -57.42 -50.86 71.66 Favored 'General case' 0 C--N 1.277 -2.56 0 C-N-CA 117.472 -1.691 . . . . 0.0 110.213 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.496 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 3.7 mt -37.68 -65.44 0.36 Allowed Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.9 Cg_endo -43.99 -85.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 120.917 1.078 . . . . 0.0 112.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.89 -45.98 10.61 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.474 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 64.1 tp -53.19 -34.11 55.57 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.01 -45.04 82.99 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.727 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' R' ' 43' ' ' LEU . 4.3 mm? -45.0 -32.03 1.51 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.182 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 4.2 mtt -76.46 35.55 0.15 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.301 -0.959 . . . . 0.0 109.869 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' R' ' 41' ' ' LEU . 3.6 mt -80.8 5.95 14.46 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.539 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.09 160.35 0.35 Allowed Pre-proline 0 C--N 1.303 -1.415 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.834 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -53.69 -65.57 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.281 1.321 . . . . 0.0 111.751 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.28 -63.79 1.02 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.366 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -46.58 -47.02 19.88 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.66 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -51.29 -40.19 58.41 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.23 -2.0 47.03 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.54 -40.16 14.51 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.54 -39.74 58.32 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.137 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 -38.92 95.59 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -65.69 -24.01 66.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -76.45 -31.36 57.78 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.371 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 9.6 t -77.95 -23.81 13.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.526 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' R' ' 57' ' ' ILE . 0.1 OUTLIER -59.06 -67.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.406 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.437 HG13 ' H ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -38.6 -75.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.861 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.437 ' H ' HG13 ' R' ' 57' ' ' ILE . 84.5 t -35.84 -63.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' R' ' 62' ' ' LEU . 4.5 tp10 -52.95 -63.36 1.17 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' R' ' 59' ' ' GLU . 28.7 mt-10 -37.56 -46.13 0.81 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.381 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.25 -39.88 84.25 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.503 ' C ' ' H ' ' R' ' 64' ' ' GLY . 2.7 tt -47.58 -68.79 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 12.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -60.25 -70.52 0.99 Allowed Glycine 0 N--CA 1.489 2.228 0 C-N-CA 119.344 -1.408 . . . . 0.0 110.624 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.38 39.31 0.39 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 10.3 tpt -81.09 -64.09 1.26 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 67' ' ' SER . . . . . 0.499 ' OG ' ' N ' ' R' ' 68' ' ' GLN . 14.1 t -177.96 -104.69 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.714 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' R' ' 70' ' ' GLU . 4.3 tt0 -75.08 -22.82 58.07 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' R' ' 71' ' ' LEU . 3.7 mtt180 -73.06 22.9 0.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.54 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' R' ' 68' ' ' GLN . 57.8 mt-10 -79.9 39.15 0.42 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.158 -1.017 . . . . 0.0 110.576 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' R' ' 69' ' ' ARG . 4.8 tp -76.18 -31.66 58.62 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -90.13 27.68 1.57 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.444 -0.903 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.28 -75.67 0.47 Allowed 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.352 -0.939 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -164.72 24.59 0.06 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' R' ' 70' ' ' GLU . 1.1 mt -82.59 -51.94 7.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.1 96.32 0.19 Allowed Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.324 -1.417 . . . . 0.0 110.276 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.68 37.49 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.776 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' R' ' 80' ' ' ALA . . . 92.36 30.16 10.31 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pt -74.41 9.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.193 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' R' ' 78' ' ' GLY . . . -76.47 -36.88 57.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.816 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.13 -30.55 63.69 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mt -84.79 -36.85 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 97.9 m -73.16 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' R' ' 85' ' ' GLY . 2.1 ptt180 -100.25 -88.81 0.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.494 -0.882 . . . . 0.0 111.199 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . 0.408 ' H ' ' CG ' ' R' ' 84' ' ' ARG . . . 96.9 -35.05 4.63 Favored Glycine 0 N--CA 1.492 2.376 0 C-N-CA 119.463 -1.351 . . . . 0.0 109.733 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 86' ' ' SER . . . . . 0.412 ' C ' ' H ' ' R' ' 88' ' ' SER . 0.7 OUTLIER -125.19 132.98 52.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.197 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -76.36 39.88 0.21 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.434 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 88' ' ' SER . . . . . 0.412 ' H ' ' C ' ' R' ' 86' ' ' SER . 60.2 p -73.97 -151.45 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.528 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 25.4 tp -87.23 -69.03 0.71 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.123 -1.031 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' R' ' 92' ' ' ALA . 67.5 mttt -101.46 -72.53 0.68 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.386 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 42.89 18.65 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.012 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' R' ' 90' ' ' LYS . . . -80.58 163.63 55.52 Favored Pre-proline 0 N--CA 1.489 1.522 0 C-N-CA 118.906 -1.117 . . . . 0.0 110.538 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -64.41 -27.61 62.81 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 121.584 1.523 . . . . 0.0 111.253 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.65 -15.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.202 -0.999 . . . . 0.0 109.716 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.63 -11.04 46.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.403 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -94.73 -42.05 8.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -47.89 -20.87 0.35 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.581 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' R' ' 96' ' ' LEU . 3.7 mt-30 -51.38 -54.32 27.75 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -95.2 -52.89 4.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.195 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . 0.56 ' C ' ' H ' ' R' ' 102' ' ' GLU . 1.9 tp -45.09 -50.67 10.92 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.232 -0.895 . . . . 0.0 113.067 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.56 0.19 0.08 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.253 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . 0.56 ' H ' ' C ' ' R' ' 100' ' ' LEU . 20.1 mt-10 -110.29 -33.68 6.57 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.469 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 p -95.31 -25.76 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 119.32 -0.952 . . . . 0.0 112.921 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -24.17 27.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.488 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.61 -40.41 75.27 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -85.09 48.39 1.56 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.786 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.832 0.348 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 5' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' S' ' 7' ' ' TYR . 0.0 OUTLIER -155.05 164.65 20.35 Favored Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 119.411 -0.916 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.32 167.09 2.84 Favored 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.205 1.27 . . . . 0.0 111.255 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' S' ' 5' ' ' SER . 2.9 m-85 -132.46 -7.03 3.3 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -59.55 141.26 55.26 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.12 123.52 8.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.349 -0.94 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.51 -62.82 1.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.714 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.92 98.68 10.59 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.71 76.12 2.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.434 -0.906 . . . . 0.0 111.259 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.42 91.77 0.12 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.019 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -97.64 152.42 19.09 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.196 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -91.05 -175.57 4.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -137.29 19.02 2.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -90.84 -65.18 1.04 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.75 -35.12 79.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.124 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . 0.472 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 64.8 t-105 -52.48 -68.21 0.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -36.8 84.15 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.259 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -50.25 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.144 -1.023 . . . . 0.0 112.002 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -57.89 -49.51 76.48 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 40.8 t -41.06 -43.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.18 -24.41 65.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.353 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.46 -33.95 31.71 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.23 -50.69 49.04 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.833 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -68.76 -26.59 65.3 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.041 -1.064 . . . . 0.0 112.269 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.1 -32.83 71.07 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.05 -27.17 35.83 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.95 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.2 OUTLIER -60.43 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.726 -1.19 . . . . 0.0 112.385 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.76 ' C ' ' H ' ' S' ' 33' ' ' ASP . 3.7 pt20 -19.76 -46.46 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.063 0 O-C-N 125.868 1.98 . . . . 0.0 111.943 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.846 ' O ' ' N ' ' S' ' 34' ' ' LEU . 16.4 m120 -78.78 26.91 0.23 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.95 ' N ' ' O ' ' S' ' 30' ' ' TYR 0.259 0.4 OUTLIER 12.56 23.93 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 112.713 -2.04 . . . . 0.0 115.564 -179.025 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.846 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.4 OUTLIER -102.88 3.72 36.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.445 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' S' ' 30' ' ' TYR . 44.5 p-80 -61.62 22.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.334 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.5 tp -68.44 -38.43 12.77 Favored Pre-proline 0 C--N 1.302 -1.484 0 C-N-CA 118.343 -1.343 . . . . 0.0 113.894 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 4.1 Cg_exo -63.83 -70.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.758 0.972 . . . . 0.0 110.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.5 OUTLIER -44.71 -48.0 10.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.696 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.21 -36.42 70.86 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.562 -1.255 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' S' ' 37' ' ' PRO . 20.9 t-20 -74.29 -39.62 62.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.018 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.28 -48.34 6.73 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 42.36 0.48 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.402 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.7 mt -65.3 -81.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 118.882 -1.127 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.512 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 51.23 114.15 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.449 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.41 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -52.88 -23.53 21.28 Favored 'Trans proline' 0 C--N 1.326 -0.607 0 CA-C-N 118.993 0.676 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.76 -51.53 22.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.97 -43.77 70.82 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.598 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' S' ' 50' ' ' ALA . 24.6 ttp180 -51.56 -63.43 1.14 Allowed 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.49 -13.08 0.54 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' S' ' 48' ' ' ARG . . . -95.0 -25.97 16.27 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.0 -63.12 1.37 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.52 -39.37 37.12 Favored Glycine 0 N--CA 1.486 1.984 0 C-N-CA 119.651 -1.261 . . . . 0.0 110.186 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -58.89 -42.18 88.91 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -60.4 -60.69 3.41 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.659 -0.817 . . . . 0.0 111.348 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.6 -28.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' S' ' 60' ' ' GLU . 5.8 ttt180 -55.88 -63.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.581 -0.847 . . . . 0.0 111.785 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.531 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.9 OUTLIER -40.59 -49.1 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.065 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.531 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 61.3 t -55.17 -65.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.209 -0.996 . . . . 0.0 112.125 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 0.21 26.2 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.76 -0.776 . . . . 0.0 113.039 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' S' ' 56' ' ' ARG . 0.6 OUTLIER -89.93 -37.96 14.02 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 118.609 -1.236 . . . . 0.0 111.393 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.73 -29.37 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.709 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tp -87.72 -71.18 0.58 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 118.586 -1.246 . . . . 0.0 111.478 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -96.08 25.28 4.92 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.043 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.92 -92.87 2.28 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 119.678 -1.248 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' S' ' 66' ' ' MET . 20.5 tp10 -67.6 -49.52 62.67 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.652 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 66' ' ' MET . . . . . 0.459 ' CB ' ' O ' ' S' ' 65' ' ' GLU . 5.9 ttp 72.96 28.98 1.88 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.594 -0.842 . . . . 0.0 110.701 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.51 9.39 1.5 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.69 -64.63 0.89 Allowed 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -93.04 9.97 33.47 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 49.9 61.97 2.9 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' S' ' 73' ' ' ASN . 1.9 tp -103.86 -39.74 6.51 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 13.88 0.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' S' ' 71' ' ' LEU . 1.1 m-80 -83.23 22.61 0.97 Allowed 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.802 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.35 34.09 4.38 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.702 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -56.85 7.23 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.91 -62.69 0.02 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.16 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.15 178.3 7.25 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.606 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.36 -54.02 4.72 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 tp -56.53 -16.19 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.527 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.49 -33.44 63.72 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.376 -0.929 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -38.56 10.53 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 2.8 mt -77.57 8.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.662 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -56.27 -75.45 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.315 -0.954 . . . . 0.0 110.709 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.99 133.56 11.68 Favored Glycine 0 N--CA 1.488 2.165 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 3.9 p -169.37 -85.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.332 -0.947 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.77 -174.96 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 119.274 -0.971 . . . . 0.0 110.75 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.26 169.0 1.25 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.311 -0.956 . . . . 0.0 110.765 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . 0.417 ' CD2' ' H ' ' S' ' 89' ' ' LEU . 0.2 OUTLIER -81.79 -26.53 34.33 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.602 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -112.69 25.52 11.38 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.9 -5.99 20.58 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.123 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' S' ' 93' ' ' PRO . . . 179.98 -52.44 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 118.491 -1.284 . . . . 0.0 113.204 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.453 ' C ' ' N ' ' S' ' 95' ' ' GLU . 5.9 Cg_exo -58.63 -19.39 45.16 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.685 0.924 . . . . 0.0 111.818 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.33 -16.44 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 118.215 -1.394 . . . . 0.0 108.751 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' S' ' 93' ' ' PRO . 1.9 mt-10 -87.08 -24.46 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -61.41 2.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.397 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . 0.605 ' CD ' ' H ' ' S' ' 97' ' ' ARG . 0.0 OUTLIER -41.4 -33.73 0.45 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.71 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -51.76 -60.62 2.96 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.019 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.447 ' O ' ' C ' ' S' ' 100' ' ' LEU . 52.7 t90 -75.9 -53.39 8.5 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 118.238 -1.385 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.8 tp -31.41 -61.4 0.21 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.006 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' S' ' 106' ' ' LYS . 16.5 tt0 -39.75 -38.49 0.65 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.479 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.8 mm-40 -79.77 -28.83 40.32 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.614 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' S' ' 100' ' ' LEU . 0.6 OUTLIER -85.28 -38.15 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 118.415 -1.314 . . . . 0.0 112.37 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' S' ' 106' ' ' LYS . 2.8 mt -106.47 -80.33 0.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.183 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.34 -14.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' S' ' 104' ' ' LEU . 8.2 tttp 52.59 -165.73 0.07 Allowed 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.753 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 116.279 -1.819 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.994 0.426 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -147.25 72.91 12.02 Favored Pre-proline 0 N--CA 1.487 1.408 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.04 167.46 14.15 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.608 1.538 . . . . 0.0 111.826 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -48.63 162.94 0.09 Allowed 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -67.02 -72.46 0.16 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.7 46.97 0.1 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.03 105.61 0.29 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 43.2 mtt -84.34 80.66 9.13 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.509 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.89 21.76 0.05 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -95.47 172.99 7.74 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.585 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . 0.535 ' H ' ' CD ' ' R' ' 14' ' ' GLN . 1.2 mp0 -53.69 146.01 14.34 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 mmm-85 -65.09 177.37 1.04 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -159.64 -0.65 0.08 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.531 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -77.62 -62.63 1.6 Allowed 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.96 -38.24 67.52 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . 0.43 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 74.1 t-105 -42.44 -32.59 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' R' ' 21' ' ' ARG . 33.3 mt -112.12 -67.57 0.99 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.053 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' R' ' 20' ' ' LEU . 1.8 ttt-85 -33.34 -44.34 0.13 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.924 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' R' ' 25' ' ' LEU . 0.5 OUTLIER -93.77 -57.52 2.53 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.997 -1.081 . . . . 0.0 112.333 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' R' ' 22' ' ' PHE . 42.4 t -40.82 -38.15 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.445 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' R' ' 25' ' ' LEU . 0.0 OUTLIER -62.09 -42.21 98.99 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.286 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' R' ' 22' ' ' PHE . 77.6 mt -53.67 -35.96 61.63 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.078 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -51.41 -30.57 19.66 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 117.893 -1.523 . . . . 0.0 108.187 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.93 60.47 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.872 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -49.01 78.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.244 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' R' ' 34' ' ' LEU . . . -62.04 -44.89 95.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.864 -1.135 . . . . 0.0 110.037 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.3 m-85 -47.92 -47.64 32.21 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 116.608 -2.037 . . . . 0.0 109.831 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' R' ' 30' ' ' TYR . 6.1 tt0 -4.0 -63.35 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.065 2.103 . . . . 0.0 110.647 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.3 OUTLIER -107.41 -94.56 0.38 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.411 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -133.5 15.44 4.06 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' R' ' 29' ' ' ALA . 8.0 mp -73.89 11.8 0.81 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 34.7 p-80 -88.87 -49.87 6.55 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.344 -1.343 . . . . 0.0 110.021 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.561 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.4 mt -42.65 -53.11 10.05 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -50.91 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 120.429 0.753 . . . . 0.0 113.157 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.5 pp -62.98 -40.79 98.79 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.185 -1.406 . . . . 0.0 110.768 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 42.7 tp -43.72 -36.55 2.28 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.429 -1.308 . . . . 0.0 109.048 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' R' ' 41' ' ' LEU . 1.8 t-20 -73.73 -30.66 62.95 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.536 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' R' ' 38' ' ' LEU . 47.4 tp -37.84 -35.03 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 81.6 mmm -126.91 55.1 1.58 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.719 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -82.99 4.5 25.67 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 44' ' ' THR . . . . . 0.44 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.5 OUTLIER -39.3 161.11 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.328 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.12 -31.41 90.3 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 121.609 1.539 . . . . 0.0 111.914 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -59.24 -40.92 87.43 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.615 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' R' ' 46' ' ' ASP . 0.7 OUTLIER -88.4 -53.15 4.82 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.22 -0.992 . . . . 0.0 111.507 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -54.26 -23.85 16.51 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.654 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' R' ' 49' ' ' GLU . 7.0 tm-20 -85.58 -18.37 33.56 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.658 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.32 -25.52 16.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.073 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.29 -63.56 1.24 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.924 -1.111 . . . . 0.0 110.776 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.01 27.84 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.709 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -60.8 -42.25 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -68.38 -25.86 65.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.491 -0.883 . . . . 0.0 111.038 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.86 -29.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.31 28.11 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.443 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.536 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 1.6 pt -49.95 -53.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 C-N-CA 119.637 -0.825 . . . . 0.0 112.935 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' R' ' 57' ' ' ILE . 1.6 p -54.72 -55.9 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.152 -1.419 . . . . 0.0 111.298 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . 0.423 ' H ' HG12 ' R' ' 58' ' ' VAL . 8.3 tt0 -49.98 -49.44 50.48 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.16 -49.95 52.13 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.292 -0.963 . . . . 0.0 111.67 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt -40.04 -36.81 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 tp -44.06 -58.79 2.63 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.958 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' R' ' 65' ' ' GLU . 0.0 OUTLIER -88.69 -12.65 41.75 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.75 -2.37 3.47 Favored Glycine 0 N--CA 1.49 2.278 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.223 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' R' ' 63' ' ' ARG . 35.2 tt0 -76.07 -42.5 47.29 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.45 60.44 0.94 Allowed 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.23 97.93 2.07 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.297 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.89 -64.27 0.89 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.55 19.67 4.43 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.428 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 53.23 86.47 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 119.018 -1.073 . . . . 0.0 110.639 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -91.5 -38.59 12.44 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -63.32 -3.39 1.92 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.224 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -94.57 -41.56 9.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.372 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.27 75.17 1.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.86 -52.62 4.65 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.379 -0.928 . . . . 0.0 110.71 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.83 -34.18 0.53 Allowed Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.504 -1.331 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.09 152.67 9.4 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.09 31.77 72.43 Favored Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 pt -94.04 -5.52 10.49 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.415 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.85 -57.21 3.13 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.52 -37.16 3.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.626 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.16 -41.54 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.416 -0.914 . . . . 0.0 111.934 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -71.86 -5.63 35.86 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.547 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -44.75 -83.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.083 -1.047 . . . . 0.0 110.353 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.92 135.57 0.68 Allowed Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.36 -1.4 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.6 88.17 1.19 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.924 -0.711 . . . . 0.0 109.784 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 51.58 48.03 23.67 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.929 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 14.8 m -143.04 38.53 1.44 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.049 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.03 0.16 12.93 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -90.79 -71.73 0.61 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -163.83 49.35 0.13 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.986 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . 0.633 ' N ' ' CD ' ' R' ' 93' ' ' PRO . . . -105.76 -36.04 0.19 Allowed Pre-proline 0 C--N 1.304 -1.379 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' R' ' 92' ' ' ALA . 6.0 Cg_exo -64.97 -21.63 63.56 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 121.105 1.203 . . . . 0.0 112.09 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -7.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.217 -0.993 . . . . 0.0 110.291 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' R' ' 93' ' ' PRO . 26.8 mm-40 -88.0 -11.04 48.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.203 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.492 ' C ' ' N ' ' R' ' 98' ' ' GLN . 16.5 tp -95.62 -35.31 11.66 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' R' ' 96' ' ' LEU . 57.6 mtp180 -46.95 -22.98 0.38 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.266 -0.974 . . . . 0.0 108.376 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . 0.492 ' N ' ' C ' ' R' ' 96' ' ' LEU . 44.4 mm-40 -49.83 -65.67 0.52 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.41 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' R' ' 101' ' ' GLU . 36.0 t90 -82.57 -54.81 4.88 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.127 -1.429 . . . . 0.0 112.086 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' R' ' 99' ' ' TRP . 2.0 tp -39.06 -23.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' R' ' 99' ' ' TRP . 4.2 mt-10 -67.93 -57.25 6.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.791 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -20.72 1.49 Allowed 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.656 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' R' ' 101' ' ' GLU . 5.4 t -84.4 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.306 -0.958 . . . . 0.0 113.111 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' R' ' 105' ' ' LEU . 12.4 mt -93.03 -17.12 24.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.155 -1.018 . . . . 0.0 113.687 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' R' ' 101' ' ' GLU . 44.1 tp -44.84 -50.26 10.38 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.831 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -84.25 169.12 15.06 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.869 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 116.234 -1.841 . . . . 0.0 111.132 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.98 69.91 2.42 Favored Pre-proline 0 C--N 1.306 -1.296 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' S' ' 7' ' ' TYR . 5.8 Cg_exo -62.21 -49.55 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.275 1.317 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' S' ' 6' ' ' PRO . 0.2 OUTLIER 58.97 125.77 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.226 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 27.7 t -73.58 157.81 35.99 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.551 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.47 135.25 33.7 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.99 -3.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -59.67 4.75 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.232 -0.987 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.59 -177.8 6.65 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.09 147.21 30.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -94.84 -14.82 24.25 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.679 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . 0.432 ' CG ' HH11 ' S' ' 15' ' ' ARG . 0.5 OUTLIER -85.53 56.9 4.17 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.754 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.88 -1.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.06 -50.14 5.22 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -72.93 -35.4 67.0 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -49.41 -16.09 0.18 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.583 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' S' ' 24' ' ' ASP . 13.3 mt -112.06 -61.61 1.69 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.096 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -49.0 28.09 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -87.73 -41.45 13.32 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 118.522 -1.271 . . . . 0.0 112.795 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 41.2 t -51.95 -25.09 5.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.044 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 1.1 m-20 -67.77 -31.5 71.43 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.566 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.77 -29.27 62.1 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.441 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.72 -39.07 90.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.012 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -24.84 66.18 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.214 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -74.96 -43.19 55.45 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.38 -75.16 0.03 OUTLIER 'General case' 0 C--O 1.195 -1.775 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.689 ' C ' ' O ' ' S' ' 29' ' ' ALA . 16.7 m-85 -11.66 -74.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.457 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' S' ' 29' ' ' ALA . 4.2 mm-40 -67.48 -38.17 83.97 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' S' ' 29' ' ' ALA . 2.9 m-80 -101.92 -14.47 17.2 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.937 ' O ' ' N ' ' S' ' 35' ' ' HIS . 37.7 t0 -111.66 14.93 21.22 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.688 ' O ' ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER 15.99 29.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.906 0.86 . . . . 0.0 112.292 -179.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.937 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER 5.75 1.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 C-N-CA 131.218 3.807 . . . . 0.0 118.464 -175.175 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.688 ' N ' ' O ' ' S' ' 34' ' ' LEU . 0.5 OUTLIER -51.34 -50.0 78.74 Favored Pre-proline 0 C--N 1.283 -2.322 0 C-N-CA 118.007 -1.477 . . . . 0.0 111.398 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 5.9 Cg_exo -63.29 -73.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 110.324 -0.683 . . . . 0.0 110.324 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' S' ' 39' ' ' LEU . 0.4 OUTLIER -50.28 -56.71 10.05 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.375 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 38.3 tp -43.05 -43.99 4.58 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 117.746 -1.582 . . . . 0.0 111.256 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.27 -22.57 61.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.478 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -50.58 63.23 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 118.782 -1.167 . . . . 0.0 111.22 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 42' ' ' MET . . . . . 0.449 ' O ' ' OG1' ' S' ' 44' ' ' THR . 4.3 mmm -110.35 35.83 3.29 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.136 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.587 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.4 OUTLIER -46.17 -31.77 2.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.212 -0.995 . . . . 0.0 111.114 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.587 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 31.25 114.42 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.36 -27.5 31.46 Favored 'Trans proline' 0 C--O 1.216 -0.589 0 CA-C-N 118.903 0.644 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -39.9 95.61 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.044 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.62 -43.16 49.42 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.254 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -49.63 -36.87 25.9 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.294 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -29.05 69.26 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.696 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -13.47 30.81 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 2.3 tm? -61.67 -72.89 0.11 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.4 -38.37 62.35 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m -67.66 -32.83 73.78 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.431 -0.907 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -64.71 -35.82 82.28 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -22.91 10.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.584 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.55 -37.05 84.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.436 HG21 ' H ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -65.91 -61.35 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 C-N-CA 118.206 -1.398 . . . . 0.0 111.332 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.436 ' H ' HG21 ' S' ' 57' ' ' ILE . 1.4 p -46.9 -43.22 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 118.55 -1.26 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.25 -63.77 1.18 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.347 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.52 -38.21 66.26 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.523 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.73 -59.56 3.7 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.304 -0.958 . . . . 0.0 111.382 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' S' ' 64' ' ' GLY . 0.6 OUTLIER -91.76 -65.57 1.0 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.397 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -45.6 -20.81 0.08 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' S' ' 62' ' ' LEU . . . -51.39 -45.1 53.27 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.103 -1.522 . . . . 0.0 110.213 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -44.78 -55.12 5.62 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.012 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ttp -65.69 -59.03 4.34 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -73.42 94.04 2.03 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.421 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' S' ' 70' ' ' GLU . 3.4 tt0 -74.05 -31.45 62.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.346 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -79.79 22.91 0.46 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' S' ' 68' ' ' GLN . 5.8 tt0 -149.54 45.89 0.95 Allowed 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.556 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -160.29 0.08 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -77.91 -10.99 59.85 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.485 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 51.08 82.65 0.06 Allowed 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.646 ' H ' ' CD1' ' S' ' 75' ' ' LEU . 0.0 OUTLIER -91.75 15.06 13.59 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.272 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.06 0.77 21.1 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.11 -178.22 5.0 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.46 171.8 2.17 Favored Glycine 0 N--CA 1.493 2.455 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.23 -40.17 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.11 80.05 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.213 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 35.1 p -46.96 -32.45 3.87 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.064 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.83 -30.45 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.393 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 83' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' S' ' 83' ' ' THR . 97.4 m -99.67 25.94 6.68 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.883 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -62.97 -72.65 0.13 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.18 134.58 0.02 OUTLIER Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.681 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.21 171.01 14.09 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.678 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . 0.546 ' ND2' ' N ' ' S' ' 87' ' ' ASN . 0.0 OUTLIER -121.64 8.22 10.05 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.678 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.33 121.53 30.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -19.68 42.48 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -69.16 -19.01 64.0 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -3.27 12.74 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.47 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.39 61.13 14.01 Favored Pre-proline 0 N--CA 1.486 1.335 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.232 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' S' ' 95' ' ' GLU . 1.1 Cg_endo -63.57 -42.14 22.39 Favored 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.664 1.576 . . . . 0.0 111.56 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' S' ' 96' ' ' LEU . 29.9 t -42.26 -24.88 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.59 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' S' ' 93' ' ' PRO . 88.2 mt-10 -71.09 5.9 1.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.24 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' S' ' 98' ' ' GLN . 1.1 tt -99.08 -56.14 2.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -22.28 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.629 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' S' ' 96' ' ' LEU . 54.7 mt-30 -53.93 -60.38 3.4 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.519 -0.873 . . . . 0.0 110.143 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.4 t90 -76.07 -55.56 5.48 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.4 tp -34.28 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.045 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.8 mt-10 -66.97 -37.37 84.12 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' S' ' 106' ' ' LYS . 36.8 mm-40 -74.67 -29.55 61.28 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.4 -35.96 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.362 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.59 -55.86 2.78 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.159 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.45 -50.13 60.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' S' ' 102' ' ' GLU . 0.0 OUTLIER -105.58 123.56 48.1 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.828 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.306 -1.317 0 CA-C-O 116.277 -1.821 . . . . 0.0 110.637 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' R' R ' 4' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' R' ' 5' ' ' SER . 4.0 tt0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' R' ' 4' ' ' GLN . 49.4 m -38.32 103.0 0.26 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.9 -177.08 0.4 Allowed 'Trans proline' 0 C--O 1.215 -0.655 0 C-N-CA 120.553 0.836 . . . . 0.0 111.272 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.1 174.49 8.22 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.974 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.18 -31.08 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.98 -47.35 6.74 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 146.26 12.04 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.5 -49.89 6.9 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.301 -0.96 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.01 110.53 1.83 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -78.09 134.2 37.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -75.44 90.45 2.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.311 -0.956 . . . . 0.0 110.257 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 15' ' ' ARG . . . . . 0.451 ' C ' ' N ' ' R' ' 17' ' ' GLN . 24.2 mtt-85 -90.38 -19.36 24.07 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.301 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 47.87 20.94 0.25 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 17' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' R' ' 15' ' ' ARG . 6.6 tt0 -61.02 -62.05 2.13 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.7 -20.93 61.14 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.785 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -46.92 -41.94 16.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.593 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.99 -30.34 7.29 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 21' ' ' ARG . . . . . 0.417 ' O ' ' OD2' ' R' ' 24' ' ' ASP . 15.1 ttp-105 -62.89 -25.8 68.48 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.683 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -103.68 -44.97 4.94 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.013 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.93 -30.9 16.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.613 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 24' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' R' ' 21' ' ' ARG . 2.5 p30 -63.88 -27.86 69.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.002 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.3 -33.94 59.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.203 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.02 -48.32 73.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.155 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -25.38 61.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -51.24 44.87 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 29' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' R' ' 34' ' ' LEU . . . -57.56 -24.0 53.73 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.533 -1.267 . . . . 0.0 109.937 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 30' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.1 m-85 -68.76 -48.33 63.99 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 116.305 -2.158 . . . . 0.0 108.287 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 31' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.4 tt0 -4.21 -64.52 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 126.342 2.276 . . . . 0.0 110.718 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 32' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' R' ' 30' ' ' TYR . 4.4 t-20 -104.76 -94.79 0.34 Allowed 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 33' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 8.8 t70 -133.4 14.61 4.12 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' R' ' 29' ' ' ALA . 8.0 mp -70.24 10.18 0.48 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.241 -1.784 . . . . 0.0 115.585 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 35' ' ' HIS . . . . . 0.462 ' HD1' ' H ' ' R' ' 35' ' ' HIS . 16.0 p-80 -86.35 -49.16 7.86 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 117.481 -1.688 . . . . 0.0 108.141 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.0 OUTLIER -36.26 -56.43 1.24 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.21 -76.5 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.703 0 C-N-CA 120.484 0.789 . . . . 0.0 113.578 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 38' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' R' ' 38' ' ' LEU . 0.1 OUTLIER -60.08 -42.67 95.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.433 -1.307 . . . . 0.0 110.619 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 42.5 tp -47.34 -36.37 9.37 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.365 -1.334 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -32.01 64.86 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.073 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.47 -43.07 7.56 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.035 -1.066 . . . . 0.0 111.009 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.07 43.13 1.03 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.676 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.87 10.45 3.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.03 160.13 0.23 Allowed Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 119.419 -0.913 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -51.72 3.67 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.3 1.333 . . . . 0.0 111.677 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.3 -44.82 88.72 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.847 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.23 -44.29 59.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -48.71 -51.84 26.63 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.51 -39.31 77.65 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.35 -38.94 13.87 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.363 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 51' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 0.2 OUTLIER -49.66 -70.98 0.07 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.948 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.23 -28.72 0.88 Allowed Glycine 0 N--CA 1.483 1.773 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -53.86 25.77 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.48 -12.11 29.12 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.25 -28.62 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -63.88 -51.87 62.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.642 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 57' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -47.03 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.108 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 58' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' R' ' 57' ' ' ILE . 14.2 t -32.16 -58.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 124.019 0.824 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -46.58 -59.63 2.88 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.57 -22.73 59.97 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.927 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.19 -25.22 62.43 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.963 -1.095 . . . . 0.0 111.075 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 62' ' ' LEU . . . . . 0.551 ' C ' ' H ' ' R' ' 64' ' ' GLY . 0.2 OUTLIER -56.69 -42.87 79.85 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.164 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 23.15 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.336 -0.946 . . . . 0.0 112.252 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 64' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -75.99 -8.41 84.89 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.073 -1.537 . . . . 0.0 109.907 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -61.46 1.77 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -90.86 -61.96 1.56 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 67' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' R' ' 67' ' ' SER . 3.4 t -69.77 78.21 0.45 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.68 -50.35 31.32 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.436 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -124.69 14.25 8.69 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -87.6 -80.84 0.25 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.705 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.33 52.41 2.44 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -153.6 -16.56 0.14 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -39.52 3.33 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -86.39 -76.08 0.36 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 75' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' R' ' 77' ' ' ALA . 4.3 mt -73.71 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.784 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.58 -17.67 2.55 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.246 -1.454 . . . . 0.0 110.411 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 77' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' R' ' 75' ' ' LEU . . . 50.78 23.08 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.91 54.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.549 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.4 -24.59 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.63 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.87 3.56 6.5 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 26.8 p -124.54 -25.37 4.04 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 86.0 mt -86.11 -75.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 32.6 p -56.84 -21.22 27.55 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.345 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -73.21 -91.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.174 -1.01 . . . . 0.0 110.715 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 47.36 -102.91 0.05 OUTLIER Glycine 0 N--CA 1.489 2.216 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.122 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 9.0 m -150.2 125.85 10.32 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.76 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 87' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.6 OUTLIER -58.33 -15.44 10.44 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.774 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 88' ' ' SER . . . . . 0.461 ' O ' ' O ' ' R' ' 87' ' ' ASN . 0.5 OUTLIER 57.43 125.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.174 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 tp -51.82 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.769 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 90' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' R' ' 91' ' ' ALA . 4.3 mttt -50.47 -31.94 16.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.086 -1.046 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 91' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' R' ' 90' ' ' LYS . . . 74.58 59.5 0.07 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.081 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.01 72.36 61.04 Favored Pre-proline 0 N--CA 1.49 1.549 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.501 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 93' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' R' ' 95' ' ' GLU . 9.7 Cg_endo -76.13 -11.38 19.49 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.77 1.646 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.84 -13.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.978 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 95' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' R' ' 93' ' ' PRO . 21.8 mm-40 -75.77 -0.4 20.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 96' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' R' ' 96' ' ' LEU . 3.0 tm? -81.33 -44.37 17.73 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -65.91 -30.21 70.76 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.929 -0.709 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -46.08 -71.44 0.07 Allowed 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -67.26 -48.83 66.56 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.213 -1.395 . . . . 0.0 112.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -40.17 27.03 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.468 -0.893 . . . . 0.0 113.167 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.23 -16.01 29.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -98.39 -25.59 14.76 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' R' R ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 1.8 p -95.56 -41.01 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 C-N-CA 118.772 -1.171 . . . . 0.0 114.037 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 104' ' ' LEU . . . . . 0.469 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 3.8 mt -90.83 -58.51 2.45 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.901 -1.12 . . . . 0.0 112.406 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 105' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' R' ' 106' ' ' LYS . 53.2 tp -59.93 -54.35 47.09 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' R' R ' 106' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' R' ' 105' ' ' LEU . 0.4 OUTLIER 58.88 118.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 116.355 -1.783 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -163.01 68.2 1.82 Allowed Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.461 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -71.71 113.89 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.833 1.689 . . . . 0.0 111.546 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 48.19 19.87 0.23 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -31.82 61.59 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.309 -0.957 . . . . 0.0 111.113 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.56 45.27 1.01 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.33 84.53 7.47 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 11' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' S' ' 11' ' ' MET . 0.1 OUTLIER 46.95 80.54 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.735 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 158.73 7.14 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -9.46 31.84 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -54.92 151.49 8.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.659 -0.817 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -136.99 72.86 1.43 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.168 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -135.51 7.98 3.33 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -95.04 -46.18 6.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.597 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 18' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mt-10 -72.07 -37.94 69.53 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.522 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 19' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 57.7 t-105 -44.69 -11.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' S' ' 18' ' ' GLU . 11.8 mt -111.2 -63.41 1.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.737 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -44.92 -46.12 10.77 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.454 -0.794 . . . . 0.0 113.127 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 22' ' ' PHE . . . . . 0.46 ' C ' ' N ' ' S' ' 24' ' ' ASP . 22.4 m-85 -81.58 -50.04 9.83 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.911 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' S' ' 22' ' ' PHE . 96.4 t -46.37 -21.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 C-N-CA 118.362 -1.335 . . . . 0.0 109.596 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.4 OUTLIER -71.53 -43.87 65.66 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.815 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -64.22 -22.86 67.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.489 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -54.76 24.62 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.36 -1.336 . . . . 0.0 108.93 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -10.9 16.26 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.339 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 28' ' ' ASN . . . . . 0.409 ' HA ' HE21 ' S' ' 31' ' ' GLN . 1.5 m120 -79.58 -45.03 19.95 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -30.79 69.87 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 30' ' ' TYR . . . . . 0.88 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.9 m-85 -56.15 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.709 -1.196 . . . . 0.0 111.066 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 31' ' ' GLN . . . . . 0.581 ' C ' ' H ' ' S' ' 33' ' ' ASP . 10.4 pt20 -20.89 -50.59 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 125.009 1.443 . . . . 0.0 111.973 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . 0.81 ' O ' ' N ' ' S' ' 34' ' ' LEU . 12.6 m120 -81.22 32.87 0.34 Allowed 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 33' ' ' ASP . . . . . 0.88 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.3 m-20 19.89 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 124.694 1.246 . . . . 0.0 112.676 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' S' ' 32' ' ' ASN . 2.4 mt -91.01 12.71 18.87 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.22 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 35' ' ' HIS . . . . . 0.513 ' HD1' ' H ' ' S' ' 35' ' ' HIS . 26.0 p-80 -76.04 -23.67 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.06 -48.4 97.14 Favored Pre-proline 0 N--CA 1.5 2.037 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.57 -61.81 0.29 Allowed 'Trans proline' 0 C--N 1.32 -0.964 0 CA-C-N 119.41 0.825 . . . . 0.0 112.466 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' S' ' 39' ' ' LEU . 0.5 OUTLIER -67.19 -37.54 83.85 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.793 -1.563 . . . . 0.0 110.31 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 39' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 21.0 tp -52.6 -37.07 57.43 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.303 -1.759 . . . . 0.0 108.383 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -32.35 72.37 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.26 -32.98 0.87 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.074 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 71.1 mmm -127.84 58.02 1.52 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.654 -0.819 . . . . 0.0 112.101 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 43' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.6 pp -89.02 3.41 51.76 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 44' ' ' THR . . . . . 0.457 ' O ' ' O ' ' S' ' 43' ' ' LEU . 1.2 p -31.31 153.2 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.548 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.39 -46.56 30.76 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.42 1.414 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -18.1 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.718 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -108.87 -28.63 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.75 -58.89 3.35 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.211 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.43 -12.27 5.81 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.734 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.54 -30.3 14.46 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.54 -62.62 1.31 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.39 -33.94 17.82 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.878 -1.629 . . . . 0.0 109.264 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 95.3 m -70.63 -32.85 70.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -61.59 -56.74 16.65 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.01 -35.1 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -51.45 -55.46 18.67 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.221 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -55.08 -54.92 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.875 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 67.8 t -44.96 -63.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.166 -1.014 . . . . 0.0 111.602 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.82 -11.99 15.23 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.781 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 60' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' S' ' 64' ' ' GLY . 3.3 tt0 -89.37 -62.57 1.45 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.967 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.37 -36.24 61.18 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.512 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -62.08 1.52 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.066 -1.053 . . . . 0.0 110.561 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.51 -6.78 43.09 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.785 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' S' ' 60' ' ' GLU . . . -70.5 -11.17 68.0 Favored Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.525 -1.321 . . . . 0.0 110.698 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.38 -26.55 68.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.775 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -15.52 43.81 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.482 -0.887 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t 49.53 31.18 3.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.487 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.61 -65.44 0.63 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.52 12.02 30.98 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 47.38 46.52 17.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.732 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.51 -37.88 71.17 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -77.59 -44.52 28.13 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 73' ' ' ASN . . . . . 0.502 ' N ' ' OD1' ' S' ' 73' ' ' ASN . 1.0 OUTLIER -94.45 12.8 25.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.227 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.02 -60.12 1.52 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.228 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -6.56 46.66 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.063 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.77 2.25 80.7 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.198 -1.477 . . . . 0.0 110.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.43 4.26 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 78' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' S' ' 80' ' ' ALA . . . -73.64 -1.8 59.08 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.2 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 6.8 mt -43.42 -21.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 80' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' S' ' 78' ' ' GLY . . . 42.89 -107.18 0.09 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -119.18 0.92 11.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 69.0 mt -44.92 -66.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.738 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 9.4 m -86.44 -53.79 4.79 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -66.35 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.06 -119.45 18.75 Favored Glycine 0 N--CA 1.489 2.223 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.018 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -75.95 0.15 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.83 171.65 1.14 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 1.6 t -172.85 -41.94 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.929 -1.109 . . . . 0.0 111.308 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 89' ' ' LEU . . . . . 0.629 ' H ' ' CD2' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -69.17 -55.4 10.74 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.299 -0.961 . . . . 0.0 111.078 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' S' ' 92' ' ' ALA . 1.4 mtpt -106.37 -62.15 1.43 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.252 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 91' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' S' ' 92' ' ' ALA . . . 47.75 18.15 0.12 Allowed 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.515 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' S' ' 90' ' ' LYS . . . -35.29 100.64 0.2 Allowed Pre-proline 0 N--CA 1.492 1.665 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.183 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 93' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' S' ' 95' ' ' GLU . 4.3 Cg_endo -71.18 -3.17 12.36 Favored 'Trans proline' 0 C--O 1.213 -0.745 0 C-N-CA 120.816 1.01 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.85 -16.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 C-N-CA 119.013 -1.075 . . . . 0.0 109.189 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 95' ' ' GLU . . . . . 0.51 ' N ' ' C ' ' S' ' 93' ' ' PRO . 20.2 mt-10 -88.89 -31.64 18.14 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.558 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 96' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' S' ' 93' ' ' PRO . 24.2 tp -78.48 -42.33 30.0 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -52.86 -25.8 12.7 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -63.67 1.05 Allowed 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.434 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' S' ' 100' ' ' LEU . 32.5 t90 -81.58 -59.19 2.7 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.013 -1.075 . . . . 0.0 111.745 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 100' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -26.88 -53.16 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.762 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.45 -51.25 8.87 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 102' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' S' ' 99' ' ' TRP . 21.2 mt-10 -59.95 -30.96 69.43 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.531 -0.867 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 14.3 t -68.63 -68.87 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.814 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.64 -77.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.914 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 105' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' S' ' 106' ' ' LYS . 0.7 OUTLIER -40.5 -45.82 2.33 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.546 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 106' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' S' ' 105' ' ' LEU . 0.0 OUTLIER 60.94 119.9 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.751 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.811 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.26 -54.01 9.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.0 OUTLIER -49.13 -74.41 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.945 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' R' ' 18' ' ' GLU . 16.0 t-105 -32.77 -31.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 18' ' ' GLU . 12.4 mt -90.77 -39.22 12.52 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.588 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 21' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' R' ' 18' ' ' GLU . 0.1 OUTLIER -69.54 -23.27 63.56 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.301 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' R' ' 22' ' ' PHE . 0.8 OUTLIER -81.19 -64.82 1.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' R' ' 22' ' ' PHE . 35.6 m -49.0 -30.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.521 -1.272 . . . . 0.0 109.115 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -38.42 67.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 118.963 -1.095 . . . . 0.0 108.939 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.77 -34.87 77.65 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.125 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.69 -44.43 66.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.675 -1.21 . . . . 0.0 109.571 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -57.16 -53.89 53.02 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.397 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -42.98 -53.08 4.94 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.19 -54.0 48.88 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.498 -1.281 . . . . 0.0 110.057 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.8 m-85 -47.37 -70.14 0.1 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' R' ' 30' ' ' TYR . 57.1 tt0 11.7 -70.09 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.678 2.486 . . . . 0.0 110.341 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.3 t-20 -94.74 -95.97 0.17 Allowed 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -151.58 22.41 0.71 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' S' ' 99' ' ' TRP . 7.1 mt -80.7 15.84 1.6 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 114.455 -1.248 . . . . 0.0 114.096 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 17.4 p-80 -96.26 -17.52 20.69 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.348 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 0.3 OUTLIER -47.49 -48.91 56.96 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.584 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -61.59 -69.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.954 0 CA-C-N 118.58 0.529 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -29.6 36.37 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.262 -1.375 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.65 -34.17 72.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 117.69 -1.604 . . . . 0.0 108.323 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.1 OUTLIER -68.63 -30.28 68.96 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.823 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.444 HD22 ' OD1' ' R' ' 40' ' ' ASN . 3.6 mm? -67.13 -4.6 10.57 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.434 -1.306 . . . . 0.0 107.845 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.447 ' H ' ' C ' ' R' ' 40' ' ' ASN . 0.2 OUTLIER -105.26 16.52 25.55 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.365 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.86 12.31 7.65 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.679 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -45.69 151.89 0.77 Allowed Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.72 -56.37 1.77 Allowed 'Trans proline' 0 C--N 1.322 -0.868 0 C-N-CA 120.84 1.027 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 46' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 2.4 p30 -51.31 -44.57 61.97 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 47' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 2.3 tp10 -76.07 -34.52 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -54.69 -31.14 57.49 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -22.77 20.98 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -11.91 56.3 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.599 HD13 ' C ' ' R' ' 51' ' ' LEU . 2.7 tm? -69.39 -72.42 0.19 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.88 -30.49 5.01 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 119.074 -1.536 . . . . 0.0 109.919 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -71.72 -45.92 60.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -48.15 -38.98 19.28 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -21.96 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 19.6 ttm105 -65.04 -46.43 81.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.676 -0.809 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -59.38 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.312 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.661 HG23 ' N ' ' R' ' 59' ' ' GLU . 31.0 m -32.7 -50.39 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.786 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 59' ' ' GLU . . . . . 0.661 ' N ' HG23 ' R' ' 58' ' ' VAL . 14.8 tt0 -59.4 -53.84 53.56 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.849 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.44 -17.81 64.83 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 119.771 -0.772 . . . . 0.0 112.458 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 61' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' R' ' 61' ' ' LEU . 17.1 mt . . . . . 0 N--CA 1.49 1.566 0 C-N-CA 118.722 -1.191 . . . . 0.0 111.421 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 93' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' R' ' 95' ' ' GLU . 6.3 Cg_endo . . . . . 0 C--O 1.212 -0.812 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 94' ' ' VAL . . . . . 0.431 ' O ' HG12 ' R' ' 94' ' ' VAL . 66.1 t -54.75 -13.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 95' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' R' ' 93' ' ' PRO . 18.4 mt-10 -75.49 -17.1 60.21 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.523 HD11 HD13 ' R' ' 100' ' ' LEU . 28.0 tp -86.83 -44.7 11.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -47.28 -19.01 0.12 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.31 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' R' ' 96' ' ' LEU . 5.4 mt-30 -62.94 -60.3 3.65 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.894 -0.722 . . . . 0.0 111.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.661 ' CH2' HG21 ' R' ' 103' ' ' VAL . 34.1 t90 -81.46 -53.07 6.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.467 -1.293 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.523 HD13 HD11 ' R' ' 96' ' ' LEU . 2.4 tp -42.64 -53.68 4.34 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.567 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.76 -19.76 2.69 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.25 -13.46 20.79 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.661 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.0 OUTLIER -102.22 -29.59 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.294 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -33.54 22.03 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.638 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.488 1.473 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.38 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.71 -34.83 11.79 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.609 -0.837 . . . . 0.0 112.541 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mm-40 -91.37 -45.01 8.81 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.202 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -42.75 -13.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' S' ' 18' ' ' GLU . 81.6 mt -115.52 -81.22 0.61 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.861 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -39.27 -39.61 0.65 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.807 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' S' ' 25' ' ' LEU . 0.7 OUTLIER -85.25 -54.51 4.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.764 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' S' ' 22' ' ' PHE . 42.4 t -46.86 -23.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 118.541 -1.264 . . . . 0.0 109.686 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.6 OUTLIER -69.82 -41.05 75.52 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 119.386 -0.925 . . . . 0.0 108.834 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' S' ' 22' ' ' PHE . 73.8 mt -59.33 -28.23 66.63 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.363 -0.935 . . . . 0.0 108.989 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.85 -40.95 81.36 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.691 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -68.84 -24.18 64.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.463 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.99 -50.11 57.61 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.861 -1.135 . . . . 0.0 110.138 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -58.71 -44.33 90.35 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.94 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.764 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.2 m-85 -48.56 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.207 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.1 OUTLIER -13.72 -66.3 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 125.049 1.468 . . . . 0.0 112.798 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' S' ' 34' ' ' LEU . 13.8 m120 -77.32 35.24 0.17 Allowed 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.706 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.764 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.6 OUTLIER 31.78 28.36 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.448 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.4 mt -91.82 14.46 15.39 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.398 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' S' ' 36' ' ' LEU . 26.7 p-80 -77.73 -21.4 51.94 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.3 mm? -35.59 -60.67 0.6 Allowed Pre-proline 0 N--CA 1.496 1.862 0 C-N-CA 119.441 -0.903 . . . . 0.0 111.497 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' S' ' 38' ' ' LEU . 1.6 Cg_endo -59.17 -72.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.339 0.693 . . . . 0.0 110.301 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' S' ' 41' ' ' LEU . 0.5 OUTLIER -38.86 -62.46 0.62 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.002 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.431 ' C ' HD13 ' S' ' 39' ' ' LEU . 0.3 OUTLIER -43.36 -70.19 0.11 Allowed 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.238 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -50.17 -18.12 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 41' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' S' ' 38' ' ' LEU . 18.8 tp -55.34 -69.57 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.07 47.17 1.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.616 -0.833 . . . . 0.0 112.762 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 44' ' ' THR . 1.6 mt -61.13 -71.76 0.13 Allowed 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.537 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 73.07 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.792 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 45' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' S' ' 46' ' ' ASP . 3.1 Cg_exo -53.17 -61.0 0.52 Allowed 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 120.848 1.032 . . . . 0.0 112.051 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' S' ' 45' ' ' PRO . 39.8 t0 -38.16 -47.73 1.18 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.256 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.3 tp10 -67.66 -39.97 84.53 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 48' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' S' ' 45' ' ' PRO . 72.1 ttt180 -50.32 -47.83 55.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.518 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.68 13.26 1.04 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -109.09 -42.95 4.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.865 -0.734 . . . . 0.0 111.967 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.846 HD12 ' N ' ' S' ' 52' ' ' GLY . 3.1 pp -47.53 -54.12 12.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 52' ' ' GLY . . . . . 0.846 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -59.01 -47.58 90.07 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 118.955 -1.593 . . . . 0.0 109.927 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -64.19 -8.01 11.04 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.708 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' S' ' 56' ' ' ARG . 2.0 tpp180 -90.68 -65.68 0.99 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.218 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.409 HG12 ' O ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -47.66 -23.3 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.305 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.03 -62.58 1.68 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.714 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.8 OUTLIER -42.69 -53.16 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.773 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 12.2 t -55.98 -68.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.46 -10.13 0.23 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.672 -0.811 . . . . 0.0 111.74 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.492 1.631 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.342 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.067 0.461 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -99.0 -19.88 17.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.791 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.541 HD11 HD13 ' S' ' 100' ' ' LEU . 28.8 tp -80.88 -52.26 7.67 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -43.69 -29.32 0.5 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.48 -62.5 1.61 Allowed 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.804 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.513 ' CZ3' HG11 ' S' ' 103' ' ' VAL . 36.1 t90 -77.23 -55.95 4.98 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.735 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.541 HD13 HD11 ' S' ' 96' ' ' LEU . 2.7 tp -33.94 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.265 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 101' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' S' ' 99' ' ' TRP . 0.0 OUTLIER -63.38 -43.03 98.8 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.349 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.3 mt-10 -68.47 -33.33 73.97 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.513 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.7 p -85.84 -41.36 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 C-N-CA 118.107 -1.437 . . . . 0.0 113.917 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.38 -34.51 17.56 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.914 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.303 -1.424 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.71 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -88.82 -19.55 25.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.423 ' OE2' HG11 ' S' ' 55' ' ' VAL . 16.4 tt0 -103.88 -42.39 5.6 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.494 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 24.2 t-105 -49.25 -13.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -114.42 -66.05 1.13 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.317 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -36.66 -45.16 0.5 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.41 ' C ' ' N ' ' R' ' 24' ' ' ASP . 55.0 m-85 -81.76 -45.69 15.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.511 -1.276 . . . . 0.0 111.049 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 t -55.32 -15.96 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.257 -1.377 . . . . 0.0 109.018 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 24' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' R' ' 22' ' ' PHE . 79.6 m-20 -80.03 -25.2 40.28 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.822 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -81.25 -21.05 39.72 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 26' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -57.93 -48.02 81.14 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.48 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 27' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -63.09 -37.71 88.29 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.453 -1.299 . . . . 0.0 110.187 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.76 -52.98 16.68 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.346 -1.341 . . . . 0.0 110.03 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -60.23 -42.43 95.21 Favored 'General case' 0 C--N 1.305 -1.37 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.663 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.5 m-85 -51.63 -68.62 0.15 Allowed 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 116.986 -1.886 . . . . 0.0 109.518 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.1 OUTLIER 11.02 -69.34 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 126.864 2.602 . . . . 0.0 110.633 -179.437 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.7 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -96.07 -91.54 0.23 Allowed 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 25.5 t0 -151.51 23.37 0.71 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.599 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.2 mp -81.9 15.62 2.19 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.504 -1.278 . . . . 0.0 113.914 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 6.7 p-80 -92.59 -34.36 14.05 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.001 -1.48 . . . . 0.0 111.007 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 1.1 tp -51.2 -49.17 83.09 Favored Pre-proline 0 N--CA 1.489 1.511 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -58.77 -64.55 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 CA-C-N 118.829 0.618 . . . . 0.0 112.198 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.488 ' HG ' ' N ' ' R' ' 39' ' ' LEU . 1.1 pp -61.15 -31.07 70.8 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.674 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.488 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 36.4 tp -64.56 -34.65 78.73 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.471 -1.292 . . . . 0.0 109.346 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' R' ' 43' ' ' LEU . 7.5 m-80 -72.96 -35.06 66.85 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.315 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.722 HD23 ' N ' ' R' ' 42' ' ' MET . 0.0 OUTLIER -45.27 -26.04 0.46 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.722 ' N ' HD23 ' R' ' 41' ' ' LEU . 0.0 OUTLIER -102.65 41.25 1.26 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.822 0.82 . . . . 0.0 109.227 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' R' ' 40' ' ' ASN . 2.9 mt -69.51 11.47 0.25 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.653 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -54.13 147.08 27.38 Favored Pre-proline 0 C--N 1.3 -1.553 0 C-N-CA 118.294 -1.362 . . . . 0.0 110.14 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.82 -28.15 75.31 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.33 1.354 . . . . 0.0 111.708 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 46' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -60.13 -52.66 64.4 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 47' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 5.3 mm-40 -60.17 -36.01 76.65 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -59.37 4.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.526 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.76 -21.34 10.75 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.5 -24.86 25.4 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.583 HD13 ' C ' ' R' ' 51' ' ' LEU . 1.4 tm? -70.36 -75.73 0.11 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.413 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 52' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' R' ' 51' ' ' LEU . . . -37.59 -45.64 1.44 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.947 -1.121 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 53' ' ' THR . . . . . 0.514 ' O ' ' N ' ' R' ' 55' ' ' VAL . 13.9 p -61.49 -60.85 3.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.972 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' R' ' 53' ' ' THR . 37.9 ttm180 -37.54 -27.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' R' ' 53' ' ' THR . 12.6 t -85.9 -35.51 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 119.228 -0.989 . . . . 0.0 111.958 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 56' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' R' ' 53' ' ' THR . 5.5 mmt85 -54.93 -47.3 74.61 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.975 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.565 ' H ' HD13 ' R' ' 57' ' ' ILE . 0.0 OUTLIER -53.47 -72.39 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.99 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.7 t -40.5 -53.28 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.764 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -45.76 -39.05 7.7 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' R' ' 57' ' ' ILE . 2.1 tp10 -68.61 -52.29 33.14 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.803 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.786 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' R' ' 95' ' ' GLU . 5.3 Cg_endo . . . . . 0 C--O 1.213 -0.73 0 N-CA-C 111.099 -0.385 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.77 -24.69 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 95' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' R' ' 93' ' ' PRO . 9.3 mm-40 -67.07 -38.54 85.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.414 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' R' ' 98' ' ' GLN . 17.9 tp -71.15 -46.43 61.49 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.745 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -43.52 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.477 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' R' ' 96' ' ' LEU . 38.3 mm-40 -54.5 -58.43 7.48 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' S' ' 29' ' ' ALA . 36.1 t90 -88.34 -51.67 5.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 118.454 -1.298 . . . . 0.0 112.543 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 tp -46.02 -22.66 0.23 Allowed 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 101' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' R' ' 101' ' ' GLU . 16.2 tt0 -71.33 -4.23 24.93 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.294 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.81 -28.01 7.23 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.624 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 0.3 OUTLIER -86.75 -45.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 104' ' ' LEU . . . . . 0.441 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 48.9 mt -87.53 -62.44 1.5 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 118.296 -1.361 . . . . 0.0 112.113 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 105' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' R' ' 104' ' ' LEU . 3.1 tp . . . . . 0 N--CA 1.494 1.758 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.754 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 16' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.2 t60 . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 121.475 0.655 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -99.38 -40.03 8.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.423 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' S' ' 19' ' ' TRP . 2.2 mm-40 -96.96 -31.75 12.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.828 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.537 ' O ' HG22 ' S' ' 23' ' ' VAL . 63.3 t-105 -38.16 -46.58 1.06 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.395 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.92 -54.47 5.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -49.71 3.87 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' S' ' 25' ' ' LEU . 42.7 t80 -82.47 -66.03 0.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.537 HG22 ' O ' ' S' ' 19' ' ' TRP . 11.9 m -34.95 -39.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.994 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.506 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.2 OUTLIER -58.55 -44.01 89.5 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.968 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' S' ' 22' ' ' PHE . 39.7 mt -63.93 -39.98 95.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.178 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.81 -39.04 62.07 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 118.969 -1.093 . . . . 0.0 110.051 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -67.62 -28.69 67.95 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.782 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -66.55 -45.71 78.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.052 -1.059 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -64.88 -39.46 93.58 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.622 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -47.04 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.714 -0.795 . . . . 0.0 110.461 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.6 tt0 -15.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.213 1.571 . . . . 0.0 113.393 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' S' ' 34' ' ' LEU . 29.9 m120 -73.38 33.85 0.08 Allowed 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.1 OUTLIER 32.39 28.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.754 0.787 . . . . 0.0 111.244 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.6 OUTLIER -93.25 14.05 19.4 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.766 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.505 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 5.0 p-80 -97.96 4.53 49.42 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.973 -1.012 . . . . 0.0 113.381 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -47.67 -52.28 39.24 Favored Pre-proline 0 C--N 1.298 -1.647 0 C-N-CA 117.081 -1.848 . . . . 0.0 111.767 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' S' ' 40' ' ' ASN . 5.1 Cg_exo -63.12 -67.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.054 0 N-CA-C 110.322 -0.684 . . . . 0.0 110.322 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.6 OUTLIER -44.62 -52.43 8.15 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.05 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 63.1 tp -47.67 -38.38 14.82 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 118.306 -1.358 . . . . 0.0 109.834 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 40' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' S' ' 37' ' ' PRO . 7.5 t-20 -81.57 -20.66 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 41' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' S' ' 41' ' ' LEU . 1.0 OUTLIER -56.99 -34.1 67.79 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 46.97 1.43 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.98 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' S' ' 44' ' ' THR . 5.2 mt -81.92 -80.06 0.16 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.19 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.538 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.0 OUTLIER 46.53 171.63 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.438 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -75.73 -42.92 0.38 Allowed 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 120.904 1.069 . . . . 0.0 112.175 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -55.25 -60.91 2.74 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.129 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.83 -25.72 65.7 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.32 -0.952 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -57.09 -46.25 82.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.743 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' S' ' 49' ' ' GLU . 14.1 tt0 -84.57 4.07 33.81 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.16 -24.82 13.55 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.901 HD12 ' N ' ' S' ' 52' ' ' GLY . 4.0 pp -63.68 -51.5 64.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.389 -1.325 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 52' ' ' GLY . . . . . 0.901 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -56.58 -50.15 64.98 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 118.908 -1.615 . . . . 0.0 109.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -57.41 -58.64 7.38 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.363 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' S' ' 57' ' ' ILE . 8.8 ttp85 -44.87 -23.8 0.16 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.741 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.423 HG11 ' OE2' ' R' ' 18' ' ' GLU . 76.2 t -91.29 -35.7 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 119.042 -1.063 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' S' ' 57' ' ' ILE . 3.2 mtm-85 -58.57 -47.86 82.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.296 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.655 HD12 HD21 ' R' ' 41' ' ' LEU . 0.2 OUTLIER -45.09 -76.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 119.134 -1.026 . . . . 0.0 109.394 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' S' ' 57' ' ' ILE . 33.3 t -29.91 -58.01 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 124.239 0.962 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.28 -69.19 0.19 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.723 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -179.651 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.403 0.62 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.29 -11.0 42.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.817 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.499 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -88.04 -45.88 9.8 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.934 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -25.16 2.4 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.178 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -46.65 -63.72 0.95 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.245 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.599 ' CD1' HD23 ' R' ' 34' ' ' LEU . 34.9 t90 -83.46 -60.12 2.23 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.787 -1.165 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.499 HD13 HD22 ' S' ' 96' ' ' LEU . 1.5 tp -30.26 -53.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.484 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.14 -48.94 78.7 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.598 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.42 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.8 -0.76 . . . . 0.0 112.87 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.43 -22.91 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 119.176 -1.01 . . . . 0.0 112.996 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -39.07 8.21 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.056 -1.057 . . . . 0.0 112.374 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.49 1.548 0 C-N-CA 118.781 -1.168 . . . . 0.0 111.564 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.716 0.293 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -89.07 -20.19 24.66 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' R' ' 20' ' ' LEU . 3.8 pt-20 -106.04 -36.95 6.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.638 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.454 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.4 t-105 -48.48 -10.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.387 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' R' ' 18' ' ' GLU . 34.3 mt -112.7 -53.2 2.73 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -58.24 9.05 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -48.24 24.26 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.852 -1.139 . . . . 0.0 113.914 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.454 ' H ' HG23 ' R' ' 23' ' ' VAL . 5.6 t -48.65 -39.68 10.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.477 -1.289 . . . . 0.0 111.787 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -28.1 69.19 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.74 -33.05 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.577 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.86 -45.78 64.2 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.316 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -62.69 -26.96 68.92 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -54.49 37.1 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.125 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.48 21.31 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.492 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' R' ' 32' ' ' ASN . 9.8 m-85 -46.93 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.866 -1.534 . . . . 0.0 110.449 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.0 OUTLIER 1.5 -68.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.767 2.542 . . . . 0.0 112.256 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.4 m-80 -76.34 -98.46 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.509 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.972 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.07 23.8 0.49 Allowed 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' R' ' 34' ' ' LEU . 3.2 mm? -89.83 10.34 24.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 6.4 p-80 -67.96 -53.22 27.79 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.019 -1.872 . . . . 0.0 110.168 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.3 mm? -26.7 -63.01 0.16 Allowed Pre-proline 0 N--CA 1.506 2.335 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 4.7 Cg_endo -53.01 -90.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 120.922 1.081 . . . . 0.0 113.262 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' R' ' 39' ' ' LEU . 0.6 OUTLIER -48.15 -46.33 34.33 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 119.1 -1.04 . . . . 0.0 111.619 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' R' ' 38' ' ' LEU . 40.0 tp -35.49 -46.21 0.38 Allowed 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.661 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' R' ' 42' ' ' MET . 12.0 t-20 -71.49 -43.44 66.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.536 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' R' ' 38' ' ' LEU . 3.6 tp -67.95 4.56 1.14 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.555 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.452 ' H ' ' C ' ' R' ' 40' ' ' ASN . 1.1 tmt? -106.67 -35.77 6.92 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.135 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' R' ' 44' ' ' THR . 12.7 mt -101.01 -32.1 10.78 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.473 -0.891 . . . . 0.0 112.766 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.503 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER 56.05 156.58 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.542 -0.863 . . . . 0.0 108.783 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -40.85 -61.46 0.48 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.605 1.536 . . . . 0.0 113.039 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.13 -58.29 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.11 -9.47 56.62 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 118.689 -1.205 . . . . 0.0 111.948 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -66.76 -64.74 0.79 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 117.729 -1.588 . . . . 0.0 109.683 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.9 -24.68 3.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.6 81.44 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.9 -36.21 7.3 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.072 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.27 58.25 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 9.5 m -50.62 -24.65 3.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 54' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' R' ' 56' ' ' ARG . 0.0 OUTLIER -72.92 -66.37 0.68 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.314 -0.954 . . . . 0.0 109.181 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.505 HG13 ' CD1' ' S' ' 22' ' ' PHE . 88.1 t -45.85 -15.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 C-N-CA 119.254 -0.979 . . . . 0.0 110.732 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 56' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' R' ' 54' ' ' ARG . 0.0 OUTLIER -67.69 -49.17 64.08 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.688 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -62.71 -76.59 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 118.536 -1.266 . . . . 0.0 110.073 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.579 HG23 ' N ' ' R' ' 59' ' ' GLU . 27.6 m -35.39 -46.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.493 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 59' ' ' GLU . . . . . 0.579 ' N ' HG23 ' R' ' 58' ' ' VAL . 26.8 tt0 -58.91 -45.68 89.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.024 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.6 -30.38 62.96 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.733 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 119.124 -1.031 . . . . 0.0 111.386 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo . . . . . 0 C--O 1.214 -0.707 0 N-CA-C 110.545 -0.598 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.72 -21.7 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.31 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.51 -10.54 26.43 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.021 -1.072 . . . . 0.0 110.294 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.414 HD23 ' O ' ' R' ' 96' ' ' LEU . 1.4 tt -94.05 -40.13 10.24 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.385 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 97' ' ' ARG . . . . . 0.459 HH11 ' CG ' ' R' ' 97' ' ' ARG . 4.0 mtp85 -54.11 -19.09 4.41 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.314 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' R' ' 96' ' ' LEU . 1.1 mm100 -47.0 -53.36 12.58 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.551 ' HB2' HD23 ' S' ' 34' ' ' LEU . 35.3 t90 -95.99 -53.98 3.48 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.103 -1.039 . . . . 0.0 112.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.42 -53.99 2.53 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -50.76 -22.47 2.14 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.373 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.99 -27.52 17.78 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.433 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.404 ' H ' HG12 ' R' ' 103' ' ' VAL . 0.8 OUTLIER -92.47 -42.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 118.488 -1.285 . . . . 0.0 112.996 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.18 -51.07 8.83 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.518 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 105' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' R' ' 105' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.471 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.833 0.349 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -114.19 -45.45 3.05 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.77 -19.45 27.51 Favored 'General case' 0 C--N 1.307 -1.283 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -63.06 -23.08 67.28 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.9 -60.71 1.6 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.942 -0.703 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm-85 -58.07 -41.88 84.35 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.505 ' CD1' HG13 ' R' ' 55' ' ' VAL . 0.3 OUTLIER -83.93 -44.34 14.34 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.429 -1.309 . . . . 0.0 112.677 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.15 -30.93 30.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 118.151 -1.42 . . . . 0.0 109.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.1 -22.24 62.53 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.304 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.26 -36.66 26.9 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.435 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.16 -43.17 70.39 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.065 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -22.75 66.78 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -57.99 5.94 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 118.561 -1.255 . . . . 0.0 110.207 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.449 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -51.87 -44.61 63.77 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.408 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.724 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -45.18 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 118.679 -1.209 . . . . 0.0 110.602 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.521 ' C ' ' H ' ' S' ' 33' ' ' ASP . 7.7 mt-30 -16.02 -70.87 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 125.354 1.658 . . . . 0.0 112.954 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 10.2 m-20 -75.63 36.16 0.13 Allowed 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.152 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.724 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 30.06 30.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.214 0.946 . . . . 0.0 111.622 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.3 OUTLIER -96.28 15.42 21.16 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.83 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.545 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 16.2 p-80 -94.05 -10.84 32.16 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.882 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.471 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.0 mt -57.04 -44.85 99.94 Favored Pre-proline 0 C--N 1.296 -1.727 0 C-N-CA 117.538 -1.665 . . . . 0.0 113.094 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 2.2 Cg_endo -66.53 -58.68 0.15 Allowed 'Trans proline' 0 C--N 1.32 -0.926 0 C-N-CA 120.373 0.716 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.579 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.5 pp -60.23 -42.51 95.39 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.545 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.44 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 16.1 tp -48.73 -44.4 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 118.145 -1.422 . . . . 0.0 107.275 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.58 -33.95 34.85 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.03 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.65 -22.62 64.39 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mtm -104.03 -3.74 24.2 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.951 -0.7 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.7 OUTLIER -42.12 -66.75 0.32 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.022 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.473 ' O ' ' O ' ' S' ' 43' ' ' LEU . 7.3 m 56.37 119.65 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 123.646 0.591 . . . . 0.0 110.065 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -52.79 -60.51 0.7 Allowed 'Trans proline' 0 C--O 1.214 -0.681 0 C-N-CA 120.731 0.954 . . . . 0.0 113.026 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -42.3 -36.97 1.38 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.666 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.469 ' OE2' ' NH2' ' R' ' 54' ' ' ARG . 4.4 mm-40 -81.07 -38.13 27.86 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.389 -0.925 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -48.39 -54.4 14.15 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.967 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -63.26 -10.18 14.72 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.073 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -39.83 11.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.16 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -51.5 -55.69 17.5 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 118.781 -1.167 . . . . 0.0 111.59 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.36 -51.82 53.75 Favored Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -51.61 -58.36 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.918 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -53.5 -47.37 69.93 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -44.98 -35.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.646 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -45.06 89.26 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.429 -0.908 . . . . 0.0 113.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.57 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.3 pt -54.11 -56.51 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 118.349 -1.34 . . . . 0.0 112.209 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.57 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 0.7 OUTLIER -50.19 -43.33 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 118.268 -1.373 . . . . 0.0 110.687 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' S' ' 58' ' ' VAL . 52.0 mt-10 -71.87 -79.62 0.07 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.81 -1.156 . . . . 0.0 111.445 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.71 -6.51 8.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' S' ' 98' ' ' GLN . 13.9 tp -87.19 -60.5 1.96 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.445 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 97' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' S' ' 96' ' ' LEU . 7.6 mtt-85 -40.57 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.657 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 98' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' S' ' 96' ' ' LEU . 61.4 mm-40 -57.71 -57.47 12.61 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -79.43 -56.04 4.62 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.785 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.427 HD13 HD11 ' S' ' 96' ' ' LEU . 4.2 tp -38.93 -29.36 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.353 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.29 -33.05 75.06 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.569 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.821 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -92.87 -27.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -113.65 -50.91 2.82 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 118.997 -1.081 . . . . 0.0 113.714 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.392 -179.847 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -125.15 -78.42 0.6 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.8 OUTLIER -67.44 -37.03 82.37 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.538 -0.865 . . . . 0.0 111.486 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -41.94 -23.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.598 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' R' ' 18' ' ' GLU . 13.3 mt -90.66 -47.52 7.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.076 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -56.87 -30.64 64.04 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.284 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' R' ' 24' ' ' ASP . 9.8 t80 -69.61 -75.2 0.12 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.477 -1.289 . . . . 0.0 110.605 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 22' ' ' PHE . 16.4 m -38.67 -29.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.663 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 24' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' R' ' 22' ' ' PHE . 6.2 t70 -66.25 -59.19 3.97 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.299 -0.961 . . . . 0.0 109.734 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.04 -42.54 76.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.76 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.812 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -49.65 -15.07 0.14 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.859 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 28' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' R' ' 24' ' ' ASP . 8.0 m-20 -77.4 -55.42 5.41 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.599 -1.241 . . . . 0.0 109.775 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.88 -39.52 39.8 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.627 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.4 m-85 -50.38 -65.15 0.61 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 117.599 -1.64 . . . . 0.0 109.509 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' R' ' 30' ' ' TYR . 3.7 tp-100 7.28 -70.4 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 126.777 2.548 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' R' ' 30' ' ' TYR . 5.1 t-20 -86.52 -96.04 0.08 Allowed 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 117.921 -1.511 . . . . 0.0 107.742 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 58.5 m-20 -150.83 24.56 0.76 Allowed 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.03 10.17 25.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 117.683 -1.607 . . . . 0.0 113.846 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.8 p-80 -57.02 -56.59 19.8 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 117.675 -1.61 . . . . 0.0 110.86 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 4.4 mt -32.11 -64.83 0.22 Allowed Pre-proline 0 N--CA 1.504 2.27 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 3.9 Cg_exo -46.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.851 1.034 . . . . 0.0 113.163 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.755 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -58.85 -41.6 87.35 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.911 -1.516 . . . . 0.0 109.882 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.446 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.0 tp -47.72 -32.24 5.6 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.322 -1.351 . . . . 0.0 108.668 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -88.34 -27.76 21.45 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.234 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -45.35 -52.91 9.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 50.62 1.33 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.903 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.526 ' C ' HG23 ' R' ' 44' ' ' THR . 1.5 mt -59.09 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.526 HG23 ' C ' ' R' ' 43' ' ' LEU . 1.7 p 56.2 152.78 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.511 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.14 -29.34 86.87 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 C-N-CA 120.769 0.979 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.16 -47.45 68.77 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.51 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.3 -47.12 45.32 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -49.6 -24.37 2.14 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -100.05 -49.24 4.37 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.046 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.64 68.11 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.628 HD13 ' C ' ' R' ' 51' ' ' LEU . 3.1 tm? -66.55 -72.71 0.15 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.04 -36.96 5.39 Favored Glycine 0 N--CA 1.483 1.777 0 C-N-CA 119.214 -1.469 . . . . 0.0 109.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -73.03 -39.52 65.9 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -58.89 -24.96 62.91 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.629 HG13 ' CG ' ' S' ' 22' ' ' PHE . 43.5 t -87.01 -25.99 6.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.444 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -57.01 10.39 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.763 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.5 OUTLIER -49.61 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.81 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.601 HG13 HD21 ' R' ' 100' ' ' LEU . 49.9 t -34.86 -60.13 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.769 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -44.36 -39.65 4.79 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 60' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' R' ' 57' ' ' ILE . 4.3 mt-10 -76.96 -48.55 17.75 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 N--CA 1.486 1.365 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.584 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo . . . . . 0 N--CA 1.479 0.64 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' R' R ' 94' ' ' VAL . . . . . 0.497 ' O ' HG12 ' R' ' 94' ' ' VAL . 44.3 t -58.06 -7.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.43 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.08 3.9 36.61 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.587 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.94 -49.54 4.74 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -48.62 -24.64 1.41 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.426 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -55.44 -63.83 1.04 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.299 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.849 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 31.2 t90 -72.51 -60.96 1.98 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.251 -1.38 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.601 HD21 HG13 ' R' ' 58' ' ' VAL . 0.1 OUTLIER -33.49 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.476 -1.238 . . . . 0.0 113.167 -179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.03 -43.99 73.63 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.723 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.91 -42.96 76.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.418 ' H ' HG12 ' R' ' 103' ' ' VAL . 2.2 p -72.65 -34.56 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.12 -0.76 46.48 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.867 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.31 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.63 -33.64 64.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.947 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.55 -25.09 16.98 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.813 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -46.46 -30.02 2.0 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.21 -27.02 6.99 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -51.14 34.12 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.723 -1.191 . . . . 0.0 111.142 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.629 ' CG ' HG13 ' R' ' 55' ' ' VAL . 3.3 m-85 -78.08 -42.22 32.83 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.539 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 37.3 t -54.1 -34.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 118.889 -1.125 . . . . 0.0 109.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.67 -30.14 69.73 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 118.803 -1.159 . . . . 0.0 109.4 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.42 -23.82 46.47 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.77 -33.59 75.49 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 117.842 -1.543 . . . . 0.0 107.824 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -22.34 59.31 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.962 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 28' ' ' ASN . . . . . 0.483 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 6.7 m-80 -71.83 -37.08 70.36 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.246 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.849 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -73.0 -44.69 60.74 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 4.3 m-85 -45.82 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.75 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.4 tt0 -14.2 -65.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.556 1.785 . . . . 0.0 113.02 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.587 ' O ' ' N ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER -76.41 35.03 0.14 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.119 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 6.1 t0 31.23 28.61 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.533 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.7 mp -95.69 15.37 20.23 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 15.1 p-80 -88.57 -28.61 20.61 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.692 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.4 mt -36.92 -55.53 1.58 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.371 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -58.33 -66.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.317 -1.095 0 CA-C-N 118.699 0.571 . . . . 0.0 111.193 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.719 ' O ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -49.91 -32.18 14.03 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -61.58 -68.08 0.35 Allowed 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.703 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.59 -30.27 0.88 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 41' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' S' ' 41' ' ' LEU . 15.9 tp -44.42 -41.37 6.17 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.716 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -123.97 64.86 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.4 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.7 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.0 OUTLIER -86.9 -46.53 9.81 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.405 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.576 ' O ' ' O ' ' S' ' 43' ' ' LEU . 3.5 p 43.74 126.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.224 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -58.14 -25.94 73.68 Favored 'Trans proline' 0 C--O 1.219 -0.46 0 CA-C-N 118.852 0.626 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.9 -51.39 68.34 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' S' ' 46' ' ' ASP . 18.7 mt-10 -69.63 -23.63 63.53 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.493 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -59.32 -49.21 78.68 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.783 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.25 -18.56 49.72 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 -10.26 25.59 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.614 -0.835 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' HD13 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -63.78 -77.47 0.05 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.928 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 52' ' ' GLY . . . . . 0.4 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -47.51 -42.69 19.84 Favored Glycine 0 N--CA 1.481 1.648 0 C-N-CA 118.678 -1.725 . . . . 0.0 109.278 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -56.41 -32.77 65.15 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.449 ' NE ' ' CZ ' ' R' ' 22' ' ' PHE . 12.2 ttp180 -67.94 -25.49 65.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.4 HG12 ' O ' ' S' ' 52' ' ' GLY . 0.3 OUTLIER -77.19 -27.99 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.373 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' S' ' 57' ' ' ILE . 1.6 mtm180 -68.45 -55.42 11.91 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' S' ' 56' ' ' ARG . 0.4 OUTLIER -40.99 -77.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.579 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.24 -61.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.55 -72.43 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.454 -0.898 . . . . 0.0 112.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.76 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 121.156 0.503 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.27 -35.87 58.71 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.528 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.52 -42.88 86.59 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -50.35 -25.89 4.32 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.551 -0.86 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -59.82 -63.8 1.17 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.557 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.1 t90 -66.57 -64.94 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.339 -1.345 . . . . 0.0 109.965 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -23.47 -54.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.56 1.163 . . . . 0.0 112.326 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.57 -45.82 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.821 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' S' ' 99' ' ' TRP . 35.5 mm-40 -73.1 -12.25 60.83 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.71 -36.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 118.75 -1.18 . . . . 0.0 113.511 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.8 mt -104.77 -82.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.183 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.304 -1.4 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.437 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' R' R ' 16' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.1 t-80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.527 0.203 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.49 -19.58 0.91 Allowed 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.555 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.577 ' CD ' HG11 ' S' ' 55' ' ' VAL . 2.0 tt0 -93.01 -28.88 16.13 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.381 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.504 ' O ' HG21 ' R' ' 23' ' ' VAL . 75.6 t-105 -61.51 -5.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.732 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -118.78 -48.13 2.48 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -53.7 55.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.72 -38.03 55.01 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.988 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.504 HG21 ' O ' ' R' ' 19' ' ' TRP . 38.5 t -56.89 -26.39 24.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.551 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.84 -14.34 62.37 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.103 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.04 -39.93 11.36 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -47.07 -31.42 3.36 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -72.94 -44.76 60.78 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.983 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.8 -44.23 28.49 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.005 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -67.71 -59.68 3.14 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.712 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -36.96 -67.32 0.18 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.7 tt0 8.95 -67.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 126.929 2.643 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.712 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.5 t-20 -98.16 -90.48 0.28 Allowed 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.492 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 55.9 m-20 -153.66 25.44 0.51 Allowed 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.473 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 3.2 mt -88.51 18.01 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -100.12 -27.72 13.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.041 -1.063 . . . . 0.0 110.693 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.411 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 1.1 mt -51.25 -48.98 84.3 Favored Pre-proline 0 N--CA 1.488 1.434 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 6.2 Cg_endo -68.06 -58.64 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 120.013 0.475 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.753 ' O ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -55.78 -33.37 64.29 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.121 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.3 tp -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.42 -1.312 . . . . 0.0 108.367 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -74.4 -20.31 60.1 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -47.39 -57.12 5.66 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.182 -1.007 . . . . 0.0 109.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.437 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -107.23 51.48 0.74 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.871 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.3 OUTLIER -73.02 8.3 1.65 Allowed 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.763 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.448 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 1.0 OUTLIER -42.34 154.3 0.28 Allowed Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.842 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.48 -19.09 27.76 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 121.182 1.255 . . . . 0.0 111.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.59 63.7 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.761 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' R' ' 44' ' ' THR . 17.0 mp0 -82.47 -37.6 25.13 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -48.06 -52.73 18.96 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -48.98 -22.77 0.93 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.677 -0.809 . . . . 0.0 111.299 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 50' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -99.4 -63.92 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.563 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.511 HD13 ' C ' ' R' ' 51' ' ' LEU . 0.7 OUTLIER -30.53 -71.41 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 123.686 0.616 . . . . 0.0 111.815 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.76 -59.12 7.62 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.508 -1.33 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 15.23 1.22 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.421 -0.911 . . . . 0.0 112.253 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 54' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' R' ' 50' ' ' ALA . 15.8 ttt180 -106.81 -37.4 6.39 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -29.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.581 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -56.27 -48.04 77.39 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.846 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.494 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -50.9 -75.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.569 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' R' ' 57' ' ' ILE . 96.4 t -28.17 -50.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 124.338 1.024 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 59' ' ' GLU . . . . . 0.4 ' CG ' ' CE1' ' S' ' 22' ' ' PHE . 1.6 mm-40 -61.06 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.49 -48.29 2.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.463 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.489 1.518 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.855 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo . . . . . 0 C--O 1.213 -0.733 0 N-CA-C 111.053 -0.403 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' R' R ' 94' ' ' VAL . . . . . 0.431 ' H ' HG23 ' R' ' 94' ' ' VAL . 4.1 t -62.07 -14.68 12.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.592 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.63 -7.91 59.07 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.247 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -41.6 14.86 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.69 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -51.56 -25.62 7.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.9 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -48.05 -64.85 0.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 32.4 t90 -76.39 -57.29 3.95 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.95 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.22 -29.96 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.654 -1.157 . . . . 0.0 113.009 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.05 -31.68 61.35 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.476 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' R' ' 99' ' ' TRP . 48.0 mt-10 -82.33 -17.78 44.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.671 HG13 ' N ' ' R' ' 104' ' ' LEU . 10.8 p -97.83 -49.43 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 104' ' ' LEU . . . . . 0.671 ' N ' HG13 ' R' ' 103' ' ' VAL . 5.1 mt -90.74 -29.94 17.35 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.425 -1.31 . . . . 0.0 112.904 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 105' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.506 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.673 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 16' ' ' HIS . . . . . 0.479 ' C ' ' H ' ' S' ' 18' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.23 23.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' S' ' 16' ' ' HIS . 4.6 pt-20 -156.53 -42.09 0.07 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.708 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.401 ' CZ3' ' HG ' ' R' ' 51' ' ' LEU . 66.7 t-105 -48.09 -19.1 0.24 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.207 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' S' ' 18' ' ' GLU . 26.1 mt -125.07 -60.88 1.33 Allowed 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -38.9 0.37 Allowed 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.461 -1.245 . . . . 0.0 113.491 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' S' ' 23' ' ' VAL . 24.0 m-85 -113.87 -35.7 5.04 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.719 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' S' ' 22' ' ' PHE . 2.7 t -47.52 -27.96 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 118.185 -1.406 . . . . 0.0 108.607 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.94 87.23 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.251 -0.98 . . . . 0.0 108.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' S' ' 22' ' ' PHE . 16.9 mt -65.35 -28.93 69.64 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.533 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -54.82 -44.36 73.78 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.028 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.93 -62.17 1.98 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.676 -1.21 . . . . 0.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.433 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -46.64 -49.09 19.66 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.331 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.783 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.7 m-85 -49.87 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' S' ' 30' ' ' TYR . 53.6 tt0 -13.62 -68.48 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 125.4 1.688 . . . . 0.0 112.244 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 58.5 m-20 -78.07 36.96 0.24 Allowed 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.783 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 31.89 27.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.878 0.736 . . . . 0.0 111.746 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.5 tp -96.55 13.44 28.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' S' ' 36' ' ' LEU . 2.5 p-80 -81.07 -27.7 35.59 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 118.337 -1.345 . . . . 0.0 111.332 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.7 mm? -34.69 -57.04 0.79 Allowed Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.829 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 13.2 Cg_exo -49.63 -70.52 0.06 OUTLIER 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 120.636 0.891 . . . . 0.0 112.736 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.585 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.7 pp -57.95 -40.02 79.5 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.437 ' N ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.78 -61.78 2.04 Favored 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 118.059 -1.456 . . . . 0.0 108.063 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.49 -37.22 0.67 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.836 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 41' ' ' LEU . . . . . 0.448 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -46.36 -42.14 14.5 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.57 -1.252 . . . . 0.0 109.844 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.96 33.41 3.05 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.666 -0.814 . . . . 0.0 112.891 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 3.99 1.86 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.235 -0.986 . . . . 0.0 111.758 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 44' ' ' THR . . . . . . . . . . . . . 47.3 p -45.55 148.62 1.2 Allowed Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.89 -21.51 20.96 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.916 1.078 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.39 -19.33 65.9 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.734 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 -43.64 4.08 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.779 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -53.17 -51.3 62.48 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -68.86 -38.51 79.78 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.365 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.28 77.95 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.646 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 5.4 tt -55.98 -53.16 60.24 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.179 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.17 -39.15 2.92 Favored Glycine 0 N--CA 1.492 2.419 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -71.84 -52.37 17.8 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.422 ' NH2' HD12 ' R' ' 39' ' ' LEU . 13.7 ttm180 -48.49 -27.39 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.262 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.577 HG11 ' CD ' ' R' ' 18' ' ' GLU . 58.6 t -79.01 -47.7 22.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.766 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -50.48 -64.68 0.73 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.466 HG23 ' H ' ' S' ' 58' ' ' VAL . 1.0 OUTLIER -46.02 -56.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 C-N-CA 119.212 -0.995 . . . . 0.0 112.9 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.499 HG13 HD11 ' S' ' 100' ' ' LEU . 99.7 t -49.43 -64.55 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 118.487 -1.285 . . . . 0.0 110.728 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.94 -58.38 7.86 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.803 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.39 -2.62 23.03 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.421 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.83 -56.37 4.74 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.304 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.42 -35.05 26.78 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.189 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.82 -53.19 60.37 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' R' ' 29' ' ' ALA . 32.0 t90 -67.97 -55.72 11.68 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.161 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.499 HD11 HG13 ' S' ' 58' ' ' VAL . 2.9 tp -42.33 -32.08 0.47 Allowed 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.741 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.54 -23.12 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.556 -0.858 . . . . 0.0 112.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.0 -26.35 20.38 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.47 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.5 p -89.86 -43.65 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 C-N-CA 118.643 -1.223 . . . . 0.0 113.544 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' S' ' 105' ' ' LEU . 96.4 mt -93.71 -67.11 0.87 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.018 -1.073 . . . . 0.0 112.153 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 105' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' S' ' 104' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.595 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.647 0.26 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.61 1.77 25.47 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' R' ' 20' ' ' LEU . 23.7 mm-40 -113.79 -41.13 3.63 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.06 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.504 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 42.6 t-105 -44.73 -10.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.426 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' R' ' 18' ' ' GLU . 20.1 mt -113.56 -73.55 0.66 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.678 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -37.57 -49.32 1.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.46 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.37 -49.42 19.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.708 HG22 HD21 ' S' ' 51' ' ' LEU . 98.7 t -54.38 -22.81 9.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.69 -36.25 75.8 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.38 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.43 -22.86 62.67 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.366 -0.933 . . . . 0.0 109.307 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tp -57.63 -50.44 73.15 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.73 -1.188 . . . . 0.0 110.33 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -20.81 64.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.476 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -64.54 -50.06 68.79 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.401 -1.319 . . . . 0.0 109.077 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CZ2' ' S' ' 99' ' ' TRP . . . -59.19 -51.98 67.67 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.735 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -43.07 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.438 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' R' ' 30' ' ' TYR . 22.0 tp60 3.82 -67.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.955 2.659 . . . . 0.0 111.41 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.1 m-20 -83.35 -95.56 0.06 Allowed 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 117.653 -1.619 . . . . 0.0 107.161 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.22 23.83 0.55 Allowed 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' S' ' 99' ' ' TRP . 2.9 mm? -88.59 10.06 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.7 p-80 -75.73 -37.75 59.11 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 117.014 -1.874 . . . . 0.0 110.774 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 35' ' ' HIS . 3.9 mt -34.4 -59.32 0.58 Allowed Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.45 -81.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 120.521 0.814 . . . . 0.0 112.386 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -52.18 -36.73 52.66 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.283 -1.367 . . . . 0.0 109.678 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.6 tp -57.57 -32.77 67.48 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.744 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' R' ' 42' ' ' MET . 5.8 m-20 -81.45 -15.95 53.51 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.083 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.44 -11.06 3.84 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 117.777 -1.569 . . . . 0.0 108.603 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.447 ' N ' ' C ' ' R' ' 40' ' ' ASN . 6.1 mmt -128.77 30.39 5.11 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.452 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.848 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.2 OUTLIER -74.99 5.98 4.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.509 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.438 ' C ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -40.23 160.02 0.13 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.521 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -52.43 -67.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.07 1.18 . . . . 0.0 111.613 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' R' ' 46' ' ' ASP . 0.0 OUTLIER -44.96 -36.2 3.26 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.393 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.62 -31.81 47.15 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.505 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -68.71 -61.55 1.76 Allowed 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.49 -3.19 1.31 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.821 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.52 -46.41 6.99 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.18 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.48 -57.5 3.06 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 52' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -51.62 -77.23 0.14 Allowed Glycine 0 N--CA 1.492 2.393 0 C-N-CA 119.981 -1.104 . . . . 0.0 112.185 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -20.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.469 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' R' ' 52' ' ' GLY . 0.3 OUTLIER -79.55 -72.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.837 -1.145 . . . . 0.0 111.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -14.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 118.317 -1.353 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 56' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' R' ' 54' ' ' ARG . 1.2 mmm-85 -71.35 -39.28 71.4 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.743 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 2.9 pt -58.97 -53.6 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 118.744 -1.182 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' R' ' 100' ' ' LEU . 4.9 m -53.42 -45.1 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 118.341 -1.343 . . . . 0.0 109.934 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -66.65 0.43 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.186 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.48 -15.53 38.55 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.804 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.489 1.517 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.512 -179.87 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' R' R ' 93' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' R' ' 95' ' ' GLU . 1.1 Cg_endo . . . . . 0 C--O 1.216 -0.61 0 N-CA-C 110.885 -0.467 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 94' ' ' VAL . . . . . 0.433 ' C ' ' H ' ' R' ' 96' ' ' LEU . 60.5 t -48.49 -13.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 95' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' R' ' 93' ' ' PRO . 2.3 mm-40 -69.91 3.99 2.31 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.882 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.744 HD11 HD13 ' R' ' 100' ' ' LEU . 17.1 tp -97.62 -56.66 2.45 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -22.6 0.08 Allowed 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' R' ' 96' ' ' LEU . 18.9 mt-30 -52.81 -55.14 25.18 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.562 ' CZ3' HG11 ' R' ' 103' ' ' VAL . 57.8 t90 -87.61 -54.19 4.4 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.744 HD13 HD11 ' R' ' 96' ' ' LEU . 2.9 tp -35.38 -38.13 0.1 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.036 -0.984 . . . . 0.0 113.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.13 -29.99 62.08 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.134 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 102' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.9 mm-40 -84.87 -18.18 35.63 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.628 -0.829 . . . . 0.0 113.073 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.562 HG11 ' CZ3' ' R' ' 99' ' ' TRP . 1.5 p -96.42 -30.31 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.866 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mt -105.8 -51.89 2.91 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.325 -0.95 . . . . 0.0 112.163 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -72.23 -40.78 67.5 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.408 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' S' ' 20' ' ' LEU . 18.7 mt-10 -75.22 -51.53 13.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.217 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.462 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 72.9 t-105 -35.77 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' S' ' 18' ' ' GLU . 12.5 mt -108.32 -67.95 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.16 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 21' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' S' ' 20' ' ' LEU . 18.3 mtp85 -32.24 -47.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' S' ' 24' ' ' ASP . 49.9 m-85 -89.7 -40.54 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.427 -1.309 . . . . 0.0 111.626 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 72.4 t -56.51 -12.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 C-N-CA 117.933 -1.507 . . . . 0.0 108.61 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' S' ' 22' ' ' PHE . 11.6 t0 -71.94 -32.79 67.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.336 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.45 -29.05 41.63 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.555 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 tp -51.25 -47.0 62.55 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 27' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' S' ' 27' ' ' LYS . 2.8 mtmt -63.63 -50.87 67.65 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.686 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 28' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 15.8 m-20 -42.16 -40.6 2.39 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.037 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.547 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -70.65 -49.36 48.21 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.066 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.9 m-85 -44.42 -83.22 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 118.894 -1.123 . . . . 0.0 109.788 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.562 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.6 tp-100 -16.6 -64.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 O-C-N 125.612 1.82 . . . . 0.0 112.498 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' S' ' 34' ' ' LEU . 2.5 m120 -73.2 32.92 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.729 ' N ' ' O ' ' S' ' 30' ' ' TYR . 7.3 t0 30.7 28.33 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.177 0.923 . . . . 0.0 112.187 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' S' ' 32' ' ' ASN . 4.0 mt -94.9 14.83 20.3 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 118.791 -1.164 . . . . 0.0 110.048 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' HD22 ' S' ' 36' ' ' LEU . 30.0 p-80 -70.32 -37.5 74.73 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.441 -1.304 . . . . 0.0 112.018 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' S' ' 35' ' ' HIS . 2.1 mm? -30.93 -61.12 0.27 Allowed Pre-proline 0 N--CA 1.505 2.289 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -60.77 -78.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.115 1.21 . . . . 0.0 113.537 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 0.6 OUTLIER -46.25 -43.26 15.39 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.203 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.481 HD23 ' N ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -41.8 -71.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.626 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 40' ' ' ASN . . . . . 0.481 ' N ' HD23 ' S' ' 39' ' ' LEU . 7.1 t-20 -36.87 -56.51 0.86 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.327 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.97 -21.6 66.22 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.601 -0.84 . . . . 0.0 113.061 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 42' ' ' MET . . . . . 0.441 ' SD ' HG11 ' R' ' 58' ' ' VAL . 36.3 mtp -99.27 -58.5 1.92 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.274 -0.97 . . . . 0.0 113.424 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.57 17.12 18.46 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.45 ' OG1' ' OD1' ' S' ' 40' ' ' ASN . 0.8 OUTLIER -44.84 -50.38 25.53 Favored Pre-proline 0 N--CA 1.493 1.701 0 C-N-CA 118.204 -1.398 . . . . 0.0 112.435 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 45' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' S' ' 47' ' ' GLU . 5.2 Cg_endo -71.83 -60.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 120.463 0.775 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.8 m-20 -56.81 -5.48 0.24 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' S' ' 45' ' ' PRO . 0.2 OUTLIER -62.16 -69.22 0.26 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.068 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -75.72 -20.17 58.55 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.45 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.03 -37.86 15.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.206 -0.998 . . . . 0.0 113.531 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -105.2 -30.37 9.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.708 HD21 HG22 ' R' ' 23' ' ' VAL . 0.2 OUTLIER -69.89 -74.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.347 -1.341 . . . . 0.0 112.042 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 52' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' S' ' 51' ' ' LEU . . . -37.13 -41.97 0.74 Allowed Glycine 0 N--CA 1.49 2.256 0 C-N-CA 120.26 -0.971 . . . . 0.0 111.526 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -67.88 -56.2 10.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.577 ' HA ' HD11 ' S' ' 57' ' ' ILE . 4.1 ttp180 -53.59 -18.9 3.27 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.61 -34.62 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -63.76 1.13 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.19 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' S' ' 54' ' ' ARG . 0.4 OUTLIER -43.9 -77.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.16 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' S' ' 57' ' ' ILE . 98.7 t -36.22 -71.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' S' ' 58' ' ' VAL . 22.1 tt0 -37.17 -37.04 0.15 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.568 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.32 -9.44 23.56 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.387 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.52 HD11 HD13 ' S' ' 100' ' ' LEU . 20.5 tp -89.43 -48.07 7.58 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -25.66 0.61 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.097 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 98' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' S' ' 96' ' ' LEU . 11.2 mm100 -46.44 -57.34 4.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.743 ' HB2' HD12 ' R' ' 34' ' ' LEU . 45.6 t90 -89.66 -56.33 3.29 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.384 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.52 HD13 HD11 ' S' ' 96' ' ' LEU . 1.8 tp -33.39 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.859 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 101' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' S' ' 99' ' ' TRP . 7.5 tt0 -82.07 -35.93 28.18 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' S' ' 99' ' ' TRP . 31.6 mt-10 -74.16 -10.97 60.14 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.149 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.418 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.2 p -108.05 -40.52 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 C-N-CA 119.159 -1.016 . . . . 0.0 113.301 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -81.67 -51.46 8.18 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.654 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 105' ' ' LEU . . . . . 0.433 ' N ' HD12 ' S' ' 105' ' ' LEU . 8.2 mp . . . . . 0 C--N 1.304 -1.405 0 C-N-CA 118.622 -1.231 . . . . 0.0 111.595 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.998 0.428 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -83.43 -67.64 0.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.567 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -26.92 65.41 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.497 ' O ' HG22 ' R' ' 23' ' ' VAL . 77.3 t-105 -49.53 -48.45 48.22 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.232 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.97 -50.41 10.46 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -51.19 -38.47 52.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' R' ' 24' ' ' ASP . 40.2 t80 -75.09 -71.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.306 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.497 HG22 ' O ' ' R' ' 19' ' ' TRP . 27.2 m -42.77 -21.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 24' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' R' ' 22' ' ' PHE . 0.5 OUTLIER -68.39 -45.45 72.69 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.816 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.4 -30.17 69.02 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.321 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.54 -52.92 62.11 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.336 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -52.68 -58.4 6.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -38.43 -55.23 1.41 Allowed 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.053 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.46 75.73 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.619 ' O ' ' N ' ' R' ' 32' ' ' ASN . 1.5 m-85 -45.69 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.04 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' R' ' 30' ' ' TYR . 4.3 tt0 5.1 -69.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 127.149 2.781 . . . . 0.0 111.294 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.7 m-20 -81.92 -96.83 0.04 OUTLIER 'General case' 0 C--N 1.274 -2.696 0 C-N-CA 117.917 -1.513 . . . . 0.0 107.72 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.34 26.58 0.52 Allowed 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 8.14 31.46 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 15.8 p-80 -70.03 -43.72 70.73 Favored 'General case' 0 C--N 1.292 -1.899 0 C-N-CA 117.731 -1.588 . . . . 0.0 112.036 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.46 -57.59 1.83 Allowed Pre-proline 0 N--CA 1.502 2.145 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.59 -73.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 120.612 0.875 . . . . 0.0 113.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.419 ' HB3' HD21 ' S' ' 96' ' ' LEU . 0.3 OUTLIER -59.21 -36.54 75.57 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.102 -1.439 . . . . 0.0 109.869 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 57.1 tp -57.5 -36.22 71.23 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.86 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.15 -34.3 77.33 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.866 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.495 HD23 HD12 ' S' ' 96' ' ' LEU . 0.2 OUTLIER -48.64 -33.24 9.56 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.617 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.427 ' HG2' ' HE ' ' S' ' 54' ' ' ARG . 0.2 OUTLIER -83.86 28.85 0.57 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.079 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.87 -0.76 4.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.509 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.403 HG23 ' H ' ' R' ' 46' ' ' ASP . 0.3 OUTLIER -47.94 148.78 2.69 Favored Pre-proline 0 C--N 1.301 -1.512 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.017 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -55.82 -44.78 44.3 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 120.726 0.95 . . . . 0.0 111.342 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 46' ' ' ASP . . . . . 0.403 ' H ' HG23 ' R' ' 44' ' ' THR . 3.7 t70 -65.35 3.57 0.64 Allowed 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.17 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -114.79 -48.56 2.84 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -70.7 -51.92 24.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 49' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' R' ' 53' ' ' THR . 0.5 OUTLIER -63.46 -7.42 6.72 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.042 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.51 -28.4 11.78 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.457 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 6.1 tt -64.26 -53.1 54.43 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.96 -38.87 90.67 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.33 -1.414 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 53' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.3 OUTLIER -63.96 -33.79 76.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.005 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.7 -22.97 61.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.61 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.44 -27.23 7.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 56' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' R' ' 57' ' ' ILE . 4.8 mtm180 -63.49 -56.6 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.556 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -41.78 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.236 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' R' ' 57' ' ' ILE . 73.3 t -34.7 -63.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.33 -44.14 23.43 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.829 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.05 -55.42 10.84 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.485 1.319 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.932 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo . . . . . 0 C--O 1.213 -0.761 0 N-CA-C 111.325 -0.298 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -13.59 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.03 -8.54 58.66 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.548 HD11 HD13 ' R' ' 100' ' ' LEU . 21.7 tp -96.4 -41.24 8.71 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mtp-105 -52.8 -21.07 3.73 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -59.92 -66.1 0.57 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.457 ' O ' ' N ' ' R' ' 102' ' ' GLU . 27.5 t90 -72.06 -58.33 3.53 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.55 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.548 HD13 HD11 ' R' ' 96' ' ' LEU . 1.5 tp -38.61 -31.71 0.06 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.38 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.79 -34.65 74.01 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.663 -1.215 . . . . 0.0 110.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 99' ' ' TRP . 33.2 mt-10 -79.25 -19.13 51.39 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.442 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.2 p -99.66 -26.58 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 119.085 -1.046 . . . . 0.0 113.365 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.8 -32.23 9.43 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.87 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 118.651 -1.22 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -120.28 -37.26 3.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.99 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' S' ' 20' ' ' LEU . 8.1 pt-20 -102.32 -28.54 12.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.13 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.457 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 57.9 t-105 -45.1 -16.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.257 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' S' ' 18' ' ' GLU . 24.7 mt -114.11 -57.22 2.3 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.566 -0.853 . . . . 0.0 112.237 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -31.54 8.46 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' S' ' 25' ' ' LEU . 1.3 m-85 -93.97 -53.75 3.86 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.62 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -46.23 -31.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.08 -38.38 82.72 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.266 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' S' ' 22' ' ' PHE . 68.0 mt -69.87 -33.48 72.3 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.06 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.52 -34.64 67.22 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.333 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -22.89 59.89 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.95 -49.9 40.49 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.44 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -60.89 -43.3 98.67 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.173 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.725 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.5 OUTLIER -44.22 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.474 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.3 tp60 -15.12 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 125.085 1.49 . . . . 0.0 113.296 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' S' ' 34' ' ' LEU . 6.0 m120 -78.04 35.1 0.2 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.725 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 32.35 28.6 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.132 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.0 OUTLIER -93.66 16.88 12.81 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.393 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -89.55 -27.15 20.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.956 -1.097 . . . . 0.0 112.348 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -44.51 -50.96 22.05 Favored Pre-proline 0 N--CA 1.491 1.599 0 C-N-CA 118.502 -1.279 . . . . 0.0 112.754 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -57.03 -65.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 120.074 0.516 . . . . 0.0 111.566 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.605 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -53.44 -34.87 59.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.087 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -55.39 -61.0 2.63 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.57 -39.31 0.71 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.688 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -43.49 -67.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.92 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 8.3 ttt -91.93 46.25 1.26 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.825 -1.15 . . . . 0.0 113.298 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.8 OUTLIER -60.33 -57.32 13.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.312 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.1 OUTLIER 51.69 154.62 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.068 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -67.44 -35.97 21.7 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.325 1.35 . . . . 0.0 111.251 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.33 -71.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.879 -0.729 . . . . 0.0 111.48 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' HG1' ' S' ' 44' ' ' THR . 1.9 mm-40 -40.88 -41.68 1.65 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.243 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -64.98 -60.98 2.44 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.24 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -70.64 5.43 1.88 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' S' ' 51' ' ' LEU . . . -109.92 -42.96 4.09 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.768 -0.773 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' S' ' 50' ' ' ALA . 6.3 tt -42.69 -50.6 5.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 52' ' ' GLY . . . . . 0.656 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -55.67 -56.95 21.14 Favored Glycine 0 N--CA 1.483 1.8 0 C-N-CA 119.274 -1.441 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 53' ' ' THR . . . . . 0.477 ' C ' ' O ' ' S' ' 52' ' ' GLY . 2.1 m -36.53 -30.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.057 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' S' ' 52' ' ' GLY . 2.3 mtp85 -82.61 -42.79 17.78 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.568 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.656 HG12 ' O ' ' S' ' 52' ' ' GLY . 4.7 p -51.36 -17.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 118.128 -1.429 . . . . 0.0 110.124 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.6 OUTLIER -65.26 -60.66 2.75 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.237 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.47 HD11 ' NH2' ' S' ' 54' ' ' ARG . 0.5 OUTLIER -49.96 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 118.771 -1.171 . . . . 0.0 111.571 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' S' ' 57' ' ' ILE . 67.9 t -36.72 -52.85 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.235 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 59' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' S' ' 60' ' ' GLU . 3.9 tm-20 -58.4 -60.1 4.31 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' S' ' 60' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.382 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -86.23 -23.89 26.25 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.335 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.552 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -73.83 -43.28 59.23 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.489 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -30.11 33.33 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -47.19 -63.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.431 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' S' ' 100' ' ' LEU . 48.9 t90 -82.36 -57.43 3.37 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.132 -1.027 . . . . 0.0 112.592 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.552 HD13 HD22 ' S' ' 96' ' ' LEU . 1.8 tp -31.64 -53.08 0.24 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.103 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.78 -40.05 69.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.456 -0.898 . . . . 0.0 112.135 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' S' ' 99' ' ' TRP . 23.0 mt-10 -65.08 -35.9 82.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.1 p -102.4 -30.42 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -65.62 0.99 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.834 -1.147 . . . . 0.0 111.932 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 105' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' S' ' 105' ' ' LEU . 2.6 mm? . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 119.246 -0.981 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.47 -10.52 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.176 -1.009 . . . . 0.0 110.675 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.2 OUTLIER -104.24 -36.24 7.71 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.467 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.6 t-105 -47.29 -12.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.286 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' R' ' 18' ' ' GLU . 15.9 mt -113.51 -58.96 2.08 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.705 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -49.67 -53.32 25.15 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.7 ' CD1' HG13 ' S' ' 55' ' ' VAL . 1.2 t80 -67.68 -52.79 33.81 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -51.59 -22.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 C-N-CA 118.367 -1.333 . . . . 0.0 110.709 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -25.02 55.41 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.731 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.93 -21.71 37.13 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.168 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.05 39.79 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.322 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 27' ' ' LYS . . . . . 0.444 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -61.19 -29.93 70.11 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.087 -1.045 . . . . 0.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -56.49 -59.51 4.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.651 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.547 ' CB ' HD21 ' R' ' 38' ' ' LEU . . . -49.45 -52.24 30.37 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 118.365 -1.334 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -45.38 -68.73 0.17 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.325 -1.35 . . . . 0.0 109.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' R' ' 30' ' ' TYR . 13.1 tt0 7.57 -69.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 126.898 2.624 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.663 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.9 OUTLIER -91.2 -93.35 0.14 Allowed 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 117.871 -1.531 . . . . 0.0 107.018 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 91.4 m-20 -148.88 26.65 0.9 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.555 ' H ' HD22 ' R' ' 34' ' ' LEU . 0.5 OUTLIER -87.12 4.68 41.26 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.198 -1.801 . . . . 0.0 114.428 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.45 ' ND1' ' N ' ' R' ' 35' ' ' HIS . 2.4 p-80 -67.18 -54.3 22.42 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 117.21 -1.796 . . . . 0.0 111.841 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.5 mm? -27.87 -62.04 0.19 Allowed Pre-proline 0 N--CA 1.502 2.171 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.7 Cg_endo -52.61 -85.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.981 0 C-N-CA 120.646 0.897 . . . . 0.0 113.152 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' R' ' 29' ' ' ALA . 2.4 pp -52.42 -39.2 60.69 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.309 -1.356 . . . . 0.0 111.173 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 29.3 tp -41.11 -42.06 1.91 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.652 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.6 OUTLIER -66.08 -44.09 85.46 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.552 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' R' ' 38' ' ' LEU . 6.8 tp -60.93 -0.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.449 ' H ' ' C ' ' R' ' 40' ' ' ASN . 18.9 ttt -105.55 -44.95 4.56 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.771 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.587 ' C ' HG23 ' R' ' 44' ' ' THR . 7.1 mt -100.1 -28.38 13.07 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.737 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.587 HG23 ' C ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER 53.18 178.46 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.603 0 C-N-CA 118.48 -1.288 . . . . 0.0 108.195 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -66.22 -51.33 1.15 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.014 1.142 . . . . 0.0 113.415 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -42.37 -59.55 1.8 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.562 -0.855 . . . . 0.0 112.23 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 47' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 20.0 mt-10 -78.37 -19.44 53.38 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.355 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 48' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' R' ' 50' ' ' ALA . 10.7 ttt180 -53.01 -49.53 66.04 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -14.89 1.96 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.385 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' R' ' 47' ' ' GLU . . . -85.53 -39.93 16.88 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' R' ' 50' ' ' ALA . 3.7 tt -45.78 -53.55 9.39 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.33 -57.73 6.25 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 12.9 m -58.26 -16.43 13.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 54' ' ' ARG . . . . . 0.457 ' NH2' ' OG1' ' S' ' 44' ' ' THR . 0.0 OUTLIER -84.76 -63.18 1.38 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.507 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.711 HG23 ' CD2' ' S' ' 22' ' ' PHE . 1.5 p -45.27 -25.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.5 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 56' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' R' ' 54' ' ' ARG . 16.5 ttm180 -60.9 -60.22 4.13 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.054 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' S' ' 42' ' ' MET . 0.9 OUTLIER -44.55 -57.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.757 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.873 HG13 HD11 ' R' ' 100' ' ' LEU . 76.5 t -48.93 -60.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.373 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.12 -42.09 6.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -45.68 25.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.964 -1.095 . . . . 0.0 111.582 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.304 -1.408 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.288 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 C--O 1.216 -0.592 0 N-CA-C 109.99 -0.812 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' R' R ' 94' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' R' ' 96' ' ' LEU . 0.0 OUTLIER -52.15 -19.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.95 1.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.468 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.7 tp -94.42 -45.01 7.63 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.355 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 97' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' R' ' 97' ' ' ARG . 6.2 mtt85 -49.71 -21.87 1.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.803 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' R' ' 96' ' ' LEU . 18.2 mm-40 -52.99 -65.31 0.58 Allowed 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.854 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 40.3 t90 -77.54 -56.53 4.45 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 118.57 -1.252 . . . . 0.0 110.669 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.873 HD11 HG13 ' R' ' 58' ' ' VAL . 4.0 tp -35.61 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 101' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' R' ' 99' ' ' TRP . 2.9 tt0 -78.13 -37.78 45.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.339 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 102' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.3 mt-10 -74.63 -10.61 59.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.65 -34.04 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 118.999 -1.08 . . . . 0.0 113.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.23 -65.54 0.96 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--N 1.301 -1.529 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.54 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 16' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.3 p-80 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.137 0.494 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -80.6 -65.86 0.96 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.629 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -63.6 -14.64 53.54 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.931 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -56.23 -16.43 5.36 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.51 -51.36 2.88 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.633 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -49.35 -50.33 40.34 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.711 ' CD2' HG23 ' R' ' 55' ' ' VAL . 34.4 t80 -75.59 -53.33 8.78 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 118.292 -1.363 . . . . 0.0 113.805 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' S' ' 22' ' ' PHE . 14.7 m -44.85 -27.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 118.284 -1.366 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.1 OUTLIER -60.15 -43.06 96.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' S' ' 22' ' ' PHE . 70.8 mt -61.96 -33.1 73.68 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.389 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -47.26 -34.75 6.91 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 118.503 -1.279 . . . . 0.0 109.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -70.81 -46.86 62.04 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.454 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.35 -42.91 22.46 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.39 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.854 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -76.83 -45.21 29.38 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.748 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.6 OUTLIER -48.11 -81.94 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.601 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.55 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -15.78 -67.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 125.066 1.479 . . . . 0.0 112.923 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 9.1 m-20 -74.95 35.3 0.1 Allowed 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.002 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.748 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 30.79 28.66 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 O-C-N 124.268 0.98 . . . . 0.0 111.913 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 3.6 mt -92.16 14.78 15.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.831 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.54 -29.98 33.31 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.143 -1.423 . . . . 0.0 110.738 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -37.96 -55.06 2.33 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.59 -66.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 CA-C-N 119.09 0.711 . . . . 0.0 111.203 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.654 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -50.61 -31.16 15.18 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.095 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -53.08 -56.99 11.95 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.754 -1.178 . . . . 0.0 108.506 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -31.37 35.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 26.8 tp -55.98 -28.29 56.46 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 42' ' ' MET . . . . . 0.561 ' SD ' HD11 ' R' ' 57' ' ' ILE . 1.3 mpp? -106.59 10.92 31.01 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.719 -0.792 . . . . 0.0 112.5 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.96 -1.11 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.524 ' H ' ' C ' ' S' ' 42' ' ' MET . 0.0 OUTLIER -43.67 159.97 0.22 Allowed Pre-proline 0 C--N 1.302 -1.47 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.207 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.23 -24.31 15.03 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.361 1.374 . . . . 0.0 111.508 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.67 -41.16 96.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -44.86 10.04 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.73 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -46.01 -57.24 4.59 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -61.29 -15.29 33.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.228 -0.989 . . . . 0.0 110.76 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 -5.73 33.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.034 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -81.27 -82.05 0.13 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.526 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 52' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' S' ' 51' ' ' LEU . . . -45.54 -34.28 4.94 Favored Glycine 0 N--CA 1.482 1.718 0 C-N-CA 119.472 -1.347 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -65.36 -54.75 24.35 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.847 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.428 ' NH2' HD13 ' R' ' 38' ' ' LEU . 11.0 tpt180 -45.52 -29.03 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.7 HG13 ' CD1' ' R' ' 22' ' ' PHE . 17.3 t -82.48 -37.0 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.998 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.493 ' NH1' ' OE1' ' S' ' 59' ' ' GLU . 0.1 OUTLIER -63.66 -60.93 2.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -41.29 -77.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.398 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' S' ' 57' ' ' ILE . 72.1 t -35.65 -52.23 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.846 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 59' ' ' GLU . . . . . 0.493 ' OE1' ' NH1' ' S' ' 56' ' ' ARG . 20.0 tt0 -55.78 -74.01 0.05 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.872 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.49 1.547 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.752 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -78.72 -9.8 59.55 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.521 HD23 ' O ' ' S' ' 96' ' ' LEU . 1.2 tt -93.84 -44.76 7.96 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.311 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -54.29 -15.59 1.68 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.663 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 98' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' S' ' 96' ' ' LEU . 41.4 mm-40 -51.75 -59.43 4.3 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.438 ' CH2' HG21 ' S' ' 103' ' ' VAL . 40.6 t90 -85.96 -49.27 7.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.056 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -43.5 -40.88 4.11 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.736 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.15 -24.64 27.42 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.39 -7.67 22.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.3 OUTLIER -97.75 -40.39 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 104' ' ' LEU . . . . . 0.43 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 2.9 tp -106.3 -27.02 11.26 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.41 -0.916 . . . . 0.0 112.356 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 110.521 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.589 0.233 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' R' R ' 17' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.6 mt-30 -83.89 -82.22 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' R' ' 20' ' ' LEU . 7.5 mt-10 -42.01 -27.12 0.11 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.45 ' HE1' HD21 ' S' ' 36' ' ' LEU . 68.4 t-105 -48.61 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.664 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' R' ' 18' ' ' GLU . 16.1 mt -118.17 -70.56 0.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.565 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -44.82 7.5 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 48.2 m-85 -87.07 -47.68 8.71 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 118.359 -1.337 . . . . 0.0 112.404 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -50.18 -21.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 C-N-CA 118.228 -1.389 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 86.8 m-20 -74.29 -38.65 63.32 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.242 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.42 -31.93 73.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.83 -45.86 92.8 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -20.52 66.16 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.45 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -70.8 -53.49 15.16 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.298 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.553 ' HB2' ' CZ3' ' S' ' 99' ' ' TRP . . . -56.33 -37.84 70.51 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.279 -1.368 . . . . 0.0 108.767 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -58.96 -69.5 0.19 Allowed 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 118.218 -1.393 . . . . 0.0 109.83 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.2 OUTLIER 7.51 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 126.794 2.559 . . . . 0.0 111.09 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.691 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.9 t-20 -93.05 -92.76 0.16 Allowed 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 42.1 m-20 -152.74 23.71 0.59 Allowed 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.3 mp -82.49 14.84 2.81 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 117.916 -1.514 . . . . 0.0 114.1 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -88.18 -42.7 12.15 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.3 -1.36 . . . . 0.0 109.967 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' R' ' 35' ' ' HIS . 2.0 mm? -27.56 -59.69 0.21 Allowed Pre-proline 0 N--CA 1.5 2.059 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.39 -76.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 120.427 0.751 . . . . 0.0 112.584 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.726 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.736 -1.185 . . . . 0.0 110.316 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.609 ' C ' HD13 ' R' ' 39' ' ' LEU . 2.2 tm? -46.79 -63.22 1.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.409 -1.316 . . . . 0.0 107.968 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -46.1 -36.68 6.04 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.705 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.56 -18.46 2.87 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.47 25.65 10.13 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.591 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.04 13.42 2.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -43.3 150.26 0.51 Allowed Pre-proline 0 N--CA 1.491 1.604 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -48.13 -30.78 15.09 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.05 1.167 . . . . 0.0 111.876 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -56.58 19.38 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.814 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.02 -45.79 66.47 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -39.81 -57.54 1.54 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.706 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 49' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' R' ' 51' ' ' LEU . 97.3 mt-10 -59.56 -61.19 2.8 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.516 -0.874 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.83 -11.14 0.05 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.353 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' R' ' 49' ' ' GLU . 0.1 OUTLIER -78.76 -70.52 0.49 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.055 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.79 -26.63 11.15 Favored Glycine 0 N--CA 1.483 1.805 0 C-N-CA 119.259 -1.448 . . . . 0.0 110.565 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 53' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.0 OUTLIER -70.06 -50.37 41.76 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.788 -1.165 . . . . 0.0 110.011 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.21 -33.29 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -68.26 0.18 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.25 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' R' ' 57' ' ' ILE . 61.6 t -34.16 -56.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.425 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 59' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' R' ' 60' ' ' GLU . 73.3 mm-40 -65.01 -67.2 0.46 Allowed 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 60' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.5 mm-40 -33.57 -42.11 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.485 1.293 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.534 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo . . . . . 0 C--O 1.214 -0.706 0 N-CA-C 110.058 -0.785 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' R' R ' 94' ' ' VAL . . . . . 0.408 HG23 ' H ' ' R' ' 94' ' ' VAL . 0.0 OUTLIER -56.13 -14.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.04 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.99 -23.65 62.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.033 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.48 ' C ' ' N ' ' R' ' 98' ' ' GLN . 23.1 tp -82.73 -45.38 14.48 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.642 -0.823 . . . . 0.0 109.839 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -49.93 -18.52 0.53 Allowed 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.135 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.48 ' N ' ' C ' ' R' ' 96' ' ' LEU . 89.6 mt-30 -52.29 -53.4 44.51 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.547 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 30.4 t90 -95.43 -55.08 3.16 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.771 -1.172 . . . . 0.0 111.52 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tp -45.79 -44.67 14.22 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.43 -2.58 3.37 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.706 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.6 -22.63 11.87 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.82 -34.44 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.493 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -44.99 15.23 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 105' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' R' ' 105' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.331 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 16' ' ' HIS . . . . . 0.559 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.751 0.31 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.02 -45.7 10.51 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.915 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' S' ' 20' ' ' LEU . 8.7 pt-20 -66.4 -36.66 83.38 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.349 -0.94 . . . . 0.0 112.009 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' S' ' 19' ' ' TRP . 25.3 t-105 -58.88 -3.33 0.32 Allowed 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.533 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' S' ' 18' ' ' GLU . 20.6 mt -114.26 -40.67 3.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.147 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.79 95.67 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.285 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -72.62 -61.64 1.73 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.623 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.518 HG23 ' N ' ' S' ' 24' ' ' ASP . 33.0 m -42.3 -42.76 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 119.4 -0.92 . . . . 0.0 111.819 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.518 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.7 OUTLIER -51.72 -37.18 49.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.71 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -80.37 -24.62 39.65 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.713 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -72.89 -43.08 62.9 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -50.66 -49.36 57.33 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -64.32 -45.59 87.25 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -44.94 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.191 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' S' ' 30' ' ' TYR . 13.0 tt0 -9.5 -69.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.038 1.461 . . . . 0.0 113.668 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' S' ' 34' ' ' LEU . 19.0 m-20 -84.17 38.69 0.67 Allowed 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.1 t70 32.91 28.61 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.365 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.7 OUTLIER -88.87 15.7 8.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.452 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 46.8 p-80 -99.33 -6.87 27.14 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.45 HD21 ' HE1' ' R' ' 19' ' ' TRP . 2.1 mt -54.17 -47.78 96.26 Favored Pre-proline 0 C--N 1.3 -1.584 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' S' ' 40' ' ' ASN . 1.8 Cg_endo -66.71 -61.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 120.318 0.679 . . . . 0.0 111.228 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.667 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.6 -38.84 56.4 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.521 -1.271 . . . . 0.0 108.42 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 23.1 tp -58.95 -31.08 68.39 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.129 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 40' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' S' ' 37' ' ' PRO . 0.0 OUTLIER -81.79 -8.62 59.71 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.929 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 41' ' ' LEU . . . . . 0.459 HD23 HD22 ' R' ' 96' ' ' LEU . 0.2 OUTLIER -62.74 -46.15 89.38 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.589 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 2.4 tpt -105.91 39.23 1.82 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.91 ' O ' HD12 ' S' ' 43' ' ' LEU . 0.3 OUTLIER -67.82 -0.36 4.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.129 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.456 ' C ' ' O ' ' S' ' 43' ' ' LEU . 0.7 OUTLIER -36.94 155.38 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.611 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -50.43 -12.87 0.58 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 120.899 1.066 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' S' ' 44' ' ' THR . 0.1 OUTLIER -66.78 -65.41 0.68 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.038 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.86 -40.05 72.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.845 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -56.9 -48.04 79.14 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.676 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 49' ' ' GLU . . . . . 0.404 ' O ' ' OG1' ' S' ' 53' ' ' THR . 11.7 mt-10 -61.43 -4.01 1.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.749 -0.781 . . . . 0.0 111.268 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -114.16 -40.96 3.58 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.55 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.2 tm? -47.73 -76.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.403 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.99 -41.21 44.91 Favored Glycine 0 N--CA 1.482 1.742 0 C-N-CA 119.252 -1.452 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 53' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -69.94 -19.33 63.38 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.68 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' S' ' 50' ' ' ALA . 28.3 ttm180 -79.0 -30.35 44.23 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.171 -1.011 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.457 HG13 ' H ' ' S' ' 55' ' ' VAL . 0.7 OUTLIER -83.35 -28.13 7.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.158 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.34 -61.8 2.36 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.341 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.458 HG13 ' H ' ' S' ' 58' ' ' VAL . 0.5 OUTLIER -38.95 -72.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.025 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.747 HG13 HD11 ' S' ' 100' ' ' LEU . 60.4 t -37.7 -64.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.93 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.76 10.81 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 . . . . . 0 N--CA 1.496 1.837 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.681 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.958 0.408 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.89 -17.1 17.77 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.494 HD11 HD13 ' S' ' 100' ' ' LEU . 29.0 tp -83.84 -39.16 20.27 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -54.19 -31.74 53.75 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.32 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -41.84 -66.19 0.37 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.696 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' R' ' 29' ' ' ALA . 34.9 t90 -86.48 -54.69 4.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 118.736 -1.186 . . . . 0.0 113.368 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.747 HD11 HG13 ' S' ' 58' ' ' VAL . 4.1 tp -36.19 -58.82 0.66 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -49.62 -26.73 3.86 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.525 -1.27 . . . . 0.0 111.785 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -83.36 -28.33 29.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.987 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 1.1 p -91.5 -35.94 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.386 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 104' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 0.1 OUTLIER -83.87 -49.71 8.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.748 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.489 1.497 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.325 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -84.12 -74.2 0.39 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.281 -0.967 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' R' ' 20' ' ' LEU . 2.2 mt-10 -51.1 -32.95 24.09 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.657 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 49.1 t-105 -57.61 -1.34 0.09 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' R' ' 18' ' ' GLU . 81.7 mt -119.99 -64.82 1.22 Allowed 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.925 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -59.67 -29.73 68.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -89.29 -50.37 6.17 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.509 -1.276 . . . . 0.0 112.143 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.37 -30.86 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 117.717 -1.593 . . . . 0.0 108.736 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.32 -49.44 67.04 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 118.766 -1.173 . . . . 0.0 109.241 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 25' ' ' LEU . . . . . 0.719 ' N ' HD12 ' R' ' 25' ' ' LEU . 8.2 mp -61.51 -31.82 71.84 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -53.27 -55.67 22.74 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.217 -1.393 . . . . 0.0 109.457 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -59.82 -29.81 68.51 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.033 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -60.93 -43.55 98.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.425 -1.31 . . . . 0.0 109.418 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.464 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -59.73 -53.9 52.63 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' R' ' 32' ' ' ASN . 11.7 m-85 -45.01 -71.4 0.08 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.583 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' R' ' 30' ' ' TYR . 2.1 tp60 8.69 -69.15 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.872 2.608 . . . . 0.0 110.968 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.674 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.8 OUTLIER -91.63 -90.02 0.17 Allowed 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 0.3 OUTLIER -153.43 21.47 0.55 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' S' ' 99' ' ' TRP . 4.0 mm? -81.99 12.09 4.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 117.123 -1.831 . . . . 0.0 113.167 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.507 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 2.2 p-80 -77.24 -52.23 9.57 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 117.154 -1.818 . . . . 0.0 110.418 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.507 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 3.8 mt -32.12 -57.46 0.44 Allowed Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.85 -72.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 119.224 0.759 . . . . 0.0 112.094 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.714 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -39.83 59.47 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.556 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.9 tp -60.37 -41.46 93.77 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.61 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -23.69 67.38 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' R' ' 41' ' ' LEU . 0.2 OUTLIER -51.69 -55.45 19.47 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 118.431 -1.307 . . . . 0.0 109.094 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 5.0 ttp -106.28 55.75 0.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.818 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -86.79 9.6 18.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.464 ' C ' ' O ' ' R' ' 43' ' ' LEU . 77.8 p -34.01 147.14 0.12 Allowed Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.564 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.05 -31.7 36.07 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.406 1.404 . . . . 0.0 111.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -38.41 76.95 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.196 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 10.4 tp10 -77.17 -56.31 4.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 48' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' R' ' 50' ' ' ALA . 13.5 ttp180 -50.27 -52.25 37.89 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.457 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -50.25 -16.45 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 50' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' R' ' 48' ' ' ARG . . . -97.35 -46.62 6.02 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.508 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.409 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 5.6 tt -46.5 -60.77 2.15 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.099 -1.04 . . . . 0.0 110.64 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.41 -58.03 4.14 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 53' ' ' THR . . . . . 0.555 ' O ' ' N ' ' R' ' 55' ' ' VAL . 53.2 m -56.58 -68.72 0.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.811 -0.756 . . . . 0.0 112.23 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 54' ' ' ARG . . . . . 0.56 ' HA ' HD11 ' R' ' 57' ' ' ILE . 37.8 ttm105 -40.0 -19.28 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.441 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' R' ' 53' ' ' THR . 2.3 t -96.53 -38.07 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 119.716 -0.794 . . . . 0.0 112.602 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 56' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' R' ' 57' ' ' ILE . 38.4 mtt85 -64.19 -52.2 60.07 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.141 -1.023 . . . . 0.0 112.519 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' R' ' 54' ' ' ARG . 0.3 OUTLIER -44.97 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.693 HG21 HD21 ' S' ' 38' ' ' LEU . 17.0 t -34.33 -52.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 124.194 0.934 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.0 -76.8 0.05 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.336 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -51.38 -11.58 0.12 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.269 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' R' ' 57' ' ' ILE . 12.6 mt . . . . . 0 C--N 1.303 -1.437 0 C-N-CA 118.572 -1.251 . . . . 0.0 111.566 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 C--O 1.216 -0.619 0 N-CA-C 110.857 -0.478 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.34 -19.28 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.64 -16.39 24.36 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.649 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.604 HD11 HD13 ' R' ' 100' ' ' LEU . 30.1 tp -87.14 -43.26 12.39 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -20.4 1.36 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' R' ' 96' ' ' LEU . 27.6 mt-30 -51.75 -61.66 2.12 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.523 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.607 ' CH2' HG21 ' R' ' 103' ' ' VAL . 40.7 t90 -88.21 -50.95 6.04 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 118.613 -1.235 . . . . 0.0 112.213 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.604 HD13 HD11 ' R' ' 96' ' ' LEU . 2.1 tp -41.72 -38.59 1.48 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.56 -3.94 1.71 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 102' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' R' ' 100' ' ' LEU . 21.7 mt-10 -113.1 -28.33 7.7 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.352 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.607 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.6 p -85.04 -28.01 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.964 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.68 -11.8 10.95 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.622 -0.831 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 105' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.008 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.009 0.433 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.66 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' S' ' 20' ' ' LEU . 0.9 OUTLIER -44.5 -64.76 0.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.536 0.684 . . . . 0.0 111.851 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.424 ' O ' HG21 ' S' ' 23' ' ' VAL . 68.2 t-105 -42.67 -12.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.465 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' S' ' 18' ' ' GLU . 78.9 mt -116.81 -67.66 0.98 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.792 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -45.8 -47.1 15.77 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.481 ' C ' ' N ' ' S' ' 24' ' ' ASP . 32.4 m-85 -83.38 -49.17 9.6 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.141 -1.424 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.424 HG21 ' O ' ' S' ' 19' ' ' TRP . 22.1 t -48.82 -16.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.692 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.2 OUTLIER -71.94 -40.82 68.45 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.628 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.54 -27.51 66.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.209 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -35.56 64.91 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.121 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -47.93 58.31 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.863 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -44.17 -47.44 9.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -67.74 -46.01 73.34 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.667 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.741 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.7 m-85 -51.69 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' S' ' 33' ' ' ASP . 37.9 tt0 -16.65 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.315 1.635 . . . . 0.0 112.899 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.609 ' O ' ' N ' ' S' ' 34' ' ' LEU . 25.0 m120 -74.5 32.47 0.09 Allowed 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.741 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.9 OUTLIER 32.1 27.19 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.049 0.843 . . . . 0.0 111.695 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.1 mp -97.14 16.18 20.46 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.002 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 6.5 p-80 -91.24 -7.04 52.37 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 0.7 OUTLIER -46.14 -52.94 24.78 Favored Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.276 -1.37 . . . . 0.0 111.979 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.2 Cg_exo -60.58 -69.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.946 0 N-CA-C 110.023 -0.799 . . . . 0.0 110.023 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.693 HD21 HG21 ' R' ' 58' ' ' VAL . 0.5 OUTLIER -42.23 -56.72 2.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.946 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.442 HD21 ' CZ2' ' R' ' 19' ' ' TRP . 40.3 tp -43.76 -47.74 7.99 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.55 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -14.23 59.4 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 55.0 tp -42.87 -56.2 3.36 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.753 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 3.4 tpt -152.76 64.99 0.79 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.604 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.8 pp -67.71 -9.1 40.74 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.175 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.428 ' O ' ' O ' ' S' ' 43' ' ' LEU . 2.2 m 59.06 133.39 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.467 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 45' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' S' ' 46' ' ' ASP . 2.2 Cg_endo -58.2 -52.25 6.1 Favored 'Trans proline' 0 C--O 1.217 -0.529 0 C-N-CA 120.523 0.816 . . . . 0.0 111.3 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' S' ' 45' ' ' PRO . 0.0 OUTLIER -40.49 -42.65 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.206 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' S' ' 51' ' ' LEU . 6.2 tp10 -69.05 -46.97 66.52 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.855 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -37.55 -46.98 0.89 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.41 -53.55 13.69 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.36 16.5 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -68.31 -68.51 0.39 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.09 -50.56 33.18 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 118.932 -1.604 . . . . 0.0 109.539 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 53' ' ' THR . . . . . 0.631 HG23 HH12 ' S' ' 56' ' ' ARG . 0.2 OUTLIER -52.46 -38.05 58.46 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.858 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.59 -54.92 32.39 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.209 -0.997 . . . . 0.0 111.164 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.424 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.7 OUTLIER -50.41 -29.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.257 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.631 HH12 HG23 ' S' ' 53' ' ' THR . 22.0 ttm180 -59.24 -54.53 45.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.784 -1.166 . . . . 0.0 111.854 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.51 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.1 pt -45.86 -46.32 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 118.599 -1.24 . . . . 0.0 110.582 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.934 HG13 HD11 ' S' ' 100' ' ' LEU . 21.4 t -50.79 -59.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -53.12 -55.44 24.04 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.488 1.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.088 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 94' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' S' ' 96' ' ' LEU . 2.4 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.301 0.572 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -0.43 6.22 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.157 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.661 ' C ' HD13 ' S' ' 96' ' ' LEU . 1.7 tm? -77.37 -57.06 4.03 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 97' ' ' ARG . . . . . 0.585 ' N ' HD13 ' S' ' 96' ' ' LEU . 6.5 mtm-85 -48.63 -35.85 14.59 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.171 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.61 -70.24 0.15 Allowed 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.985 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.579 ' HB2' HD12 ' R' ' 34' ' ' LEU . 26.8 t90 -50.13 -68.02 0.21 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 117.572 -1.651 . . . . 0.0 110.106 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.934 HD11 HG13 ' S' ' 58' ' ' VAL . 4.2 tp -28.43 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.915 -1.039 . . . . 0.0 112.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 101' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.9 tt0 -70.3 -57.77 4.5 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -50.08 -26.74 4.72 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.412 HG12 ' H ' ' S' ' 103' ' ' VAL . 2.6 p -89.68 -34.09 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 118.535 -1.266 . . . . 0.0 113.304 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.84 -36.12 16.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.561 -1.256 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 C-N-CA 118.42 -1.312 . . . . 0.0 110.26 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 16' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' R' ' 16' ' ' HIS . 1.9 t60 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 120.943 0.401 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' H ' ' R' ' 17' ' ' GLN . 0.3 OUTLIER -96.73 10.78 37.74 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.762 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -130.42 -68.26 0.7 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.434 ' CZ3' ' HG ' ' S' ' 51' ' ' LEU . 69.0 t-105 -41.43 -30.89 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.01 -57.47 2.02 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.997 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -52.08 -29.29 20.82 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.544 ' CG ' HG22 ' S' ' 55' ' ' VAL . 73.1 t80 -85.08 -57.66 3.0 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 117.742 -1.583 . . . . 0.0 112.904 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.58 -27.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 C-N-CA 117.832 -1.547 . . . . 0.0 109.971 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -36.26 77.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.128 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.34 -45.53 59.48 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.065 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tp -44.69 -47.92 10.63 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.268 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.65 72.94 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.168 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -47.25 85.87 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' S' ' 99' ' ' TRP . . . -67.49 -50.96 56.6 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 118.419 -1.313 . . . . 0.0 110.189 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -43.98 -53.48 6.19 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.121 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' R' ' 30' ' ' TYR . 66.3 tt0 -3.83 -66.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 111.681 -2.509 . . . . 0.0 111.023 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 3.0 t-20 -101.46 -92.37 0.31 Allowed 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 116.936 -1.905 . . . . 0.0 108.505 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 12.8 m-20 -132.31 15.42 4.57 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.696 HD23 ' N ' ' R' ' 34' ' ' LEU . 0.2 OUTLIER -81.88 4.45 22.36 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.69 -55.07 10.98 Favored 'General case' 0 C--N 1.287 -2.15 0 C-N-CA 117.048 -1.861 . . . . 0.0 109.924 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.487 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.1 tp -38.56 -56.72 2.15 Favored Pre-proline 0 N--CA 1.505 2.281 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.73 -59.91 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 CA-C-N 120.101 1.072 . . . . 0.0 111.699 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.687 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -76.45 -49.32 16.93 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.516 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' R' ' 35' ' ' HIS . 30.1 tp -43.67 -36.97 2.39 Favored 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.801 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' R' ' 41' ' ' LEU . 20.3 t-20 -74.14 -29.21 61.69 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.439 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.452 HD13 ' O ' ' R' ' 41' ' ' LEU . 0.1 OUTLIER -39.03 -37.36 0.36 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.551 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -116.26 62.36 0.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.93 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -85.32 -5.88 59.28 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.377 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -34.94 161.32 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.786 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.65 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.21 -18.61 18.57 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.259 1.306 . . . . 0.0 111.681 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -68.9 -37.53 79.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.925 -1.11 . . . . 0.0 111.333 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.8 -44.67 12.28 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.664 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -51.7 -43.37 62.75 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.059 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -72.7 -35.13 67.56 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.51 48.4 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.389 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.14 -57.76 3.57 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 118.643 -1.223 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.26 -48.49 32.98 Favored Glycine 0 N--CA 1.484 1.886 0 C-N-CA 119.237 -1.458 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 53' ' ' THR . . . . . 0.4 ' O ' HG22 ' R' ' 57' ' ' ILE . 92.8 m -64.76 -44.42 90.14 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.677 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -65.01 -16.1 63.06 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.511 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.58 -33.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 121.832 0.825 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -61.52 -59.28 5.47 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.548 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' R' ' 61' ' ' LEU . 0.4 OUTLIER -46.88 -68.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.117 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -36.86 -59.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 119.443 -0.903 . . . . 0.0 112.734 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -62.69 -34.74 77.76 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.643 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -89.74 -11.18 43.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.411 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 61' ' ' LEU . . . . . 0.809 ' O ' HD12 ' R' ' 61' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.307 -1.279 0 C-N-CA 118.108 -1.437 . . . . 0.0 110.2 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 93' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' R' ' 95' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.213 -0.759 0 N-CA-C 110.437 -0.64 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.16 -7.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 95' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' R' ' 93' ' ' PRO . 65.8 mt-10 -84.09 -27.91 27.91 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.965 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.639 HD22 HD12 ' R' ' 100' ' ' LEU . 0.9 OUTLIER -72.14 -44.59 62.89 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.279 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -50.96 -24.53 3.73 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.776 -0.769 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.75 -65.63 0.64 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.019 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.497 ' HE1' ' CB ' ' S' ' 32' ' ' ASN . 35.2 t90 -65.17 -56.17 14.41 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.078 -1.449 . . . . 0.0 111.239 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.639 HD12 HD22 ' R' ' 96' ' ' LEU . 0.5 OUTLIER -39.36 -44.2 1.29 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.317 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.97 -33.76 76.07 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 118.296 -1.361 . . . . 0.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.51 -41.37 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.424 -0.91 . . . . 0.0 113.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.401 HG12 ' H ' ' R' ' 103' ' ' VAL . 2.0 p -82.78 -41.99 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.23 -48.7 13.72 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 117.977 -1.489 . . . . 0.0 112.551 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.494 1.774 0 C-N-CA 119.904 -0.718 . . . . 0.0 112.869 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -94.85 -28.01 15.44 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.6 mt-10 -99.21 -44.97 6.05 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.938 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.411 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 61.2 t-105 -44.92 -15.91 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.786 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' S' ' 22' ' ' PHE . 19.5 mt -114.08 -70.29 0.81 Allowed 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.578 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 21' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' S' ' 20' ' ' LEU . 8.2 ttt180 -34.07 -30.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' S' ' 20' ' ' LEU . 66.5 m-85 -101.19 -44.98 5.51 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.31 -18.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 117.13 -1.828 . . . . 0.0 109.655 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -33.23 73.71 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.62 -36.27 80.5 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.545 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 26' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' S' ' 26' ' ' LEU . 3.2 tp -48.72 -43.88 37.76 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.484 -1.287 . . . . 0.0 109.551 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.54 -44.7 77.01 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.96 -53.96 17.58 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.861 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.36 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.133 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' C ' ' O ' ' S' ' 29' ' ' ALA . 23.7 m-85 -12.93 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.325 -1.35 . . . . 0.0 111.279 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' S' ' 29' ' ' ALA . 31.0 tt0 -69.19 -39.22 78.82 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' S' ' 29' ' ' ALA . 6.7 m-80 -100.77 -19.3 16.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.951 ' O ' ' N ' ' S' ' 35' ' ' HIS . 32.0 t0 -104.37 15.64 27.81 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 1.032 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 16.03 29.05 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.569 -179.443 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.951 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.7 OUTLIER 9.85 12.67 0.0 OUTLIER 'General case' 0 C--O 1.182 -2.465 0 C-N-CA 129.884 3.274 . . . . 0.0 116.708 -178.156 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.694 ' N ' ' O ' ' S' ' 34' ' ' LEU . 1.9 mm? -73.05 -51.54 6.06 Favored Pre-proline 0 C--N 1.283 -2.288 0 C-N-CA 115.493 -2.483 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.9 Cg_exo -59.17 -54.44 2.66 Favored 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 120.939 1.092 . . . . 0.0 114.802 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.626 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -79.15 -44.72 21.4 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.329 -1.349 . . . . 0.0 111.801 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.569 ' HB3' ' O ' ' S' ' 35' ' ' HIS . 46.3 tp -50.46 -36.0 31.51 Favored 'General case' 0 N--CA 1.516 2.845 0 C-N-CA 116.609 -2.036 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 40' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' S' ' 41' ' ' LEU . 0.6 OUTLIER -59.65 -53.1 61.96 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.628 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -29.3 -45.29 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.64 179.779 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 42' ' ' MET . . . . . 0.446 ' C ' ' H ' ' S' ' 44' ' ' THR . 58.9 mmm -82.64 40.91 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.546 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' S' ' 40' ' ' ASN . 1.0 OUTLIER -68.16 11.17 0.17 Allowed 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.153 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.446 ' H ' ' C ' ' S' ' 42' ' ' MET . 20.1 p -52.09 152.49 5.65 Favored Pre-proline 0 N--CA 1.495 1.782 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -58.49 -40.59 73.14 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 121.068 1.179 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.9 80.1 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.674 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.43 -58.39 7.8 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -52.09 -47.82 65.04 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.017 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.81 -22.84 64.56 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.678 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.32 -12.19 24.79 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.023 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.596 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.9 tm? -81.37 -69.93 0.57 Allowed 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.73 -38.99 10.35 Favored Glycine 0 N--CA 1.483 1.807 0 C-N-CA 119.487 -1.34 . . . . 0.0 110.059 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -66.66 -48.62 68.79 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -50.86 -20.97 1.47 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' R' ' 22' ' ' PHE . 41.5 t -88.35 -32.81 6.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.239 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.44 -27.81 66.51 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.425 -0.91 . . . . 0.0 112.982 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -72.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 49.3 t -48.66 -63.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -46.43 -68.41 0.2 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.419 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 N--CA 1.493 1.686 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.757 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.753 0.311 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.4 4.18 36.62 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.431 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tt -82.82 -56.73 3.65 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -29.76 4.97 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.926 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -55.31 -64.56 0.8 Allowed 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.103 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' S' ' 100' ' ' LEU . 33.6 t90 -63.82 -65.05 0.73 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.552 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.1 tp -26.45 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 114.496 -1.229 . . . . 0.0 113.843 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' S' ' 99' ' ' TRP . 4.0 mt-10 -63.39 -51.4 66.0 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.427 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' S' ' 99' ' ' TRP . 45.2 mt-10 -63.87 -20.2 65.65 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.3 p -96.84 -49.48 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.391 -1.324 . . . . 0.0 112.723 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.39 -69.42 0.65 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.874 -1.131 . . . . 0.0 111.885 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.874 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' R' R ' 16' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' R' ' 18' ' ' GLU . 4.0 m-70 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.66 0.267 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -72.61 25.13 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.392 -0.923 . . . . 0.0 111.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' R' ' 16' ' ' HIS . 8.3 pt-20 -166.72 -34.03 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.703 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -52.18 -26.83 12.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.98 -53.92 2.65 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -38.8 -48.73 1.56 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.727 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.94 -49.36 9.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.203 -0.999 . . . . 0.0 112.326 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.19 -30.91 13.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.747 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -29.38 70.0 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.284 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.26 -26.61 58.96 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.58 -69.61 0.11 Allowed 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.914 -1.114 . . . . 0.0 111.265 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -21.72 11.49 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.027 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.54 56.09 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.501 -1.679 . . . . 0.0 108.704 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.41 -49.35 72.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.926 -1.509 . . . . 0.0 109.04 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.8 m-85 -46.73 -54.96 8.61 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 117.855 -1.538 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.5 tt0 -4.19 -56.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 126.852 2.595 . . . . 0.0 112.574 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.9 t-20 -109.02 -93.06 0.42 Allowed 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.316 -1.754 . . . . 0.0 109.035 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.467 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 66.6 m-20 -134.21 17.41 3.75 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.15 7.08 33.45 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 116.66 -2.016 . . . . 0.0 115.958 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.86 -69.98 0.31 Allowed 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 117.674 -1.61 . . . . 0.0 110.76 179.534 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.508 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 2.8 mm? -28.18 -64.73 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -57.16 -68.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 120.499 0.799 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' S' ' 96' ' ' LEU . 0.4 OUTLIER -58.28 -64.18 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.11 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' R' ' 35' ' ' HIS . 29.4 tp -27.45 -40.27 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 124.419 1.074 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' R' ' 38' ' ' LEU . 1.9 t30 -63.11 -52.2 63.52 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.581 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 38' ' ' LEU . 5.1 tp -55.11 -8.58 0.3 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.32 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 42' ' ' MET . . . . . 0.522 ' O ' ' NE ' ' S' ' 54' ' ' ARG . 3.7 mtt -104.47 -53.78 2.65 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.544 -0.863 . . . . 0.0 111.701 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.464 HD23 ' OE1' ' R' ' 47' ' ' GLU . 8.5 mt -77.69 -55.99 4.89 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.807 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' R' ' 43' ' ' LEU . 0.4 OUTLIER 75.18 152.87 0.14 Allowed Pre-proline 0 N--CA 1.495 1.804 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.669 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' R' R ' 45' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' R' ' 48' ' ' ARG . 6.0 Cg_exo -55.14 -55.46 3.15 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.331 1.354 . . . . 0.0 112.49 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 46' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' R' ' 45' ' ' PRO . 15.8 t70 -40.04 -33.08 0.2 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.044 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 47' ' ' GLU . . . . . 0.464 ' OE1' HD23 ' R' ' 43' ' ' LEU . 31.8 tt0 -94.68 -24.32 17.2 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.682 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 48' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' R' ' 45' ' ' PRO . 44.6 ttt-85 -52.04 -45.3 64.62 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -45.25 -21.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.934 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' R' ' 48' ' ' ARG . . . -91.01 -46.24 8.26 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.428 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 4.9 tt -43.08 -49.04 6.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.484 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.69 -56.76 14.36 Favored Glycine 0 N--CA 1.486 1.986 0 C-N-CA 119.117 -1.516 . . . . 0.0 109.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -43.61 -37.02 2.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.83 -39.9 91.28 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.184 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' R' ' 59' ' ' GLU . 0.3 OUTLIER -62.56 -22.35 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.099 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -62.64 -64.12 1.02 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.639 HG23 ' H ' ' R' ' 58' ' ' VAL . 0.8 OUTLIER -50.81 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.594 -1.242 . . . . 0.0 112.444 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.639 ' H ' HG23 ' R' ' 57' ' ' ILE . 0.4 OUTLIER -40.48 -47.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.607 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' R' R ' 59' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' R' ' 61' ' ' LEU . 5.3 mm-40 -63.1 -64.4 0.92 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.593 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.4 tp10 -35.62 -32.49 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.319 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 61' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' R' ' 59' ' ' GLU . 83.4 mt . . . . . 0 C--N 1.304 -1.398 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.171 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.215 -0.645 0 N-CA-C 110.311 -0.688 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.98 -12.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.339 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.48 -10.47 46.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -93.04 -43.62 8.8 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.101 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -51.47 -17.52 0.82 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.562 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' R' ' 96' ' ' LEU . 10.7 mm100 -54.88 -59.62 4.48 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.613 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 35.4 t90 -86.99 -55.65 3.73 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.612 -1.235 . . . . 0.0 111.846 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' R' ' 100' ' ' LEU . 12.6 tp -40.66 -31.62 0.17 Allowed 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.54 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.33 -32.22 72.19 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -80.2 -24.62 40.14 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.867 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -34.85 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.498 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.57 -55.61 3.43 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.698 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.67 0.271 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.54 -41.46 97.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.33 -43.2 74.17 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.428 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 66.6 t-105 -53.99 -24.79 17.99 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.232 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.19 -23.33 18.6 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.041 -1.064 . . . . 0.0 111.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.67 -62.39 1.65 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.786 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -45.19 -52.5 9.32 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.432 HG23 ' N ' ' S' ' 24' ' ' ASP . 35.9 m -59.92 -39.28 79.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.958 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.432 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.1 OUTLIER -52.57 -28.22 20.04 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.86 -1.136 . . . . 0.0 110.781 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.56 -47.48 13.03 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.666 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mp -42.03 -62.5 0.91 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.717 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.54 -63.72 0.89 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.786 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -45.54 -48.42 14.3 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.613 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -78.09 -33.38 50.76 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.627 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.863 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.3 OUTLIER -50.29 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.954 -179.711 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.653 ' C ' ' H ' ' S' ' 33' ' ' ASP . 22.6 tt0 -17.75 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.778 0 O-C-N 125.597 1.81 . . . . 0.0 110.825 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.823 ' O ' ' N ' ' S' ' 34' ' ' LEU . 17.1 m120 -71.34 32.87 0.05 OUTLIER 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.107 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.863 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.4 OUTLIER 18.76 26.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 124.57 1.169 . . . . 0.0 113.405 -178.759 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.823 ' N ' ' O ' ' S' ' 32' ' ' ASN . 6.6 mt -85.14 9.49 14.79 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.462 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -80.25 -19.65 46.35 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.44 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.4 mt -46.25 -52.1 30.12 Favored Pre-proline 0 N--CA 1.495 1.808 0 C-N-CA 118.459 -1.297 . . . . 0.0 113.999 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.2 Cg_exo -56.28 -66.02 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 120.442 0.761 . . . . 0.0 111.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.669 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -56.26 -38.83 71.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 24.9 tp -53.68 -38.99 64.74 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.121 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -20.66 62.18 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.85 -58.3 6.85 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.997 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 42' ' ' MET . . . . . 0.424 ' O ' ' C ' ' S' ' 43' ' ' LEU . 7.1 mmt -87.56 43.24 1.09 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.78 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.5 OUTLIER -38.06 -54.52 1.33 Allowed 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.123 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.478 ' O ' ' O ' ' S' ' 43' ' ' LEU . 58.8 m 39.95 98.16 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -52.59 -39.23 75.96 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.374 0.716 . . . . 0.0 111.623 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' S' ' 46' ' ' ASP . 0.0 OUTLIER -58.04 -21.93 47.62 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.964 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' OE2' ' R' ' 47' ' ' GLU . 9.1 tp10 -93.11 -35.41 13.21 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -59.16 -56.45 22.0 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.72 -23.85 65.31 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.274 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.62 -22.93 23.23 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.34 -59.22 4.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.977 -1.089 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.1 82.14 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -12.9 4.86 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.042 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' R' ' 42' ' ' MET . 2.3 tpp180 -90.68 -63.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.671 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -17.68 3.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.668 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' S' ' 57' ' ' ILE . 29.6 ttt85 -64.48 -59.07 4.76 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.303 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.498 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.7 OUTLIER -41.07 -46.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.498 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 97.1 t -51.21 -64.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.522 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 59' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' S' ' 59' ' ' GLU . 10.6 tt0 -66.76 -12.95 60.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.868 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.874 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.08 -11.01 39.97 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.852 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -39.26 91.06 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.418 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -45.81 -70.19 0.11 Allowed 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.274 -0.97 . . . . 0.0 111.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.542 ' O ' ' N ' ' S' ' 101' ' ' GLU . 31.7 t90 -64.22 -59.94 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.94 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.584 HD11 HD12 ' S' ' 104' ' ' LEU . 13.1 tp -32.01 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.757 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 101' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.6 mt-10 -74.46 -41.72 60.32 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.9 mm-40 -70.84 -29.8 66.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.825 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.407 ' H ' HG12 ' S' ' 103' ' ' VAL . 0.9 OUTLIER -82.99 -41.55 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 118.448 -1.301 . . . . 0.0 112.001 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 104' ' ' LEU . . . . . 0.584 HD12 HD11 ' S' ' 100' ' ' LEU . 1.8 mt -96.1 -60.85 1.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 111.51 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 105' ' ' LEU . . . . . 0.482 HD22 ' N ' ' S' ' 105' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.489 1.509 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.439 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 46.2 m80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.709 0.29 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.77 -21.0 18.41 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 18' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' R' ' 18' ' ' GLU . 1.8 pm0 -112.33 -32.23 6.58 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.435 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 67.9 t-105 -48.19 -23.22 0.8 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.61 -64.33 1.3 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.725 -0.79 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -40.97 -44.78 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.552 ' CD2' HG12 ' S' ' 55' ' ' VAL . 39.6 t80 -91.32 -47.08 7.68 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.549 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.731 HG12 ' OH ' ' S' ' 30' ' ' TYR . 10.7 t -51.6 -15.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 118.148 -1.421 . . . . 0.0 109.686 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 0.4 OUTLIER -85.26 -23.37 28.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.245 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.86 -19.81 36.78 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.327 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 26' ' ' LEU . . . . . 0.722 ' O ' HD12 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -65.02 -40.3 94.67 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.512 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.11 57.67 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.737 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -63.42 -44.78 93.63 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.012 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -64.44 -55.9 17.77 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.405 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -43.19 -53.67 4.92 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 118.756 -1.177 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' R' ' 30' ' ' TYR . 5.1 tt0 -5.61 -61.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 126.963 2.665 . . . . 0.0 111.295 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -102.9 -92.3 0.34 Allowed 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 117.111 -1.836 . . . . 0.0 108.395 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 48.4 m-20 -132.51 15.55 4.46 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.451 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.691 ' N ' HD22 ' R' ' 34' ' ' LEU . 3.2 mm? -86.98 9.09 20.6 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 116.578 -2.049 . . . . 0.0 116.077 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.2 p-80 -57.42 -50.86 71.66 Favored 'General case' 0 C--N 1.277 -2.56 0 C-N-CA 117.472 -1.691 . . . . 0.0 110.213 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.523 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 3.7 mt -37.68 -65.44 0.36 Allowed Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.9 Cg_endo -43.99 -85.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 120.917 1.078 . . . . 0.0 112.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.438 ' HG ' HD21 ' S' ' 96' ' ' LEU . 0.8 OUTLIER -44.89 -45.98 10.61 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.474 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 64.1 tp -53.19 -34.11 55.57 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.01 -45.04 82.99 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.727 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' R' ' 43' ' ' LEU . 4.3 mm? -45.0 -32.03 1.51 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.182 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 4.2 mtt -76.46 35.55 0.15 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.301 -0.959 . . . . 0.0 109.869 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' R' ' 41' ' ' LEU . 3.6 mt -80.8 5.95 14.46 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.539 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.09 160.35 0.35 Allowed Pre-proline 0 C--N 1.303 -1.415 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.834 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -53.69 -65.57 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.281 1.321 . . . . 0.0 111.751 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.28 -63.79 1.02 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.366 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -46.58 -47.02 19.88 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.66 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -51.29 -40.19 58.41 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.23 -2.0 47.03 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.54 -40.16 14.51 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.704 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 2.1 tt -51.54 -39.74 58.32 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.137 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 -38.92 95.59 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -65.69 -24.01 66.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -76.45 -31.36 57.78 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.371 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' S' ' 22' ' ' PHE . 9.6 t -77.95 -23.81 13.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.526 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' R' ' 57' ' ' ILE . 0.1 OUTLIER -59.06 -67.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.406 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -38.6 -75.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.861 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' R' ' 57' ' ' ILE . 84.5 t -35.84 -63.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 59' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' R' ' 60' ' ' GLU . 4.5 tp10 -52.95 -63.36 1.17 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 60' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' R' ' 59' ' ' GLU . 28.7 mt-10 -37.56 -46.13 0.81 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.381 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.306 -1.302 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.837 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 C--O 1.213 -0.742 0 N-CA-C 111.253 -0.326 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.65 -15.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.202 -0.999 . . . . 0.0 109.716 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.63 -11.04 46.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.403 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -94.73 -42.05 8.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -47.89 -20.87 0.35 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.581 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' R' ' 96' ' ' LEU . 3.7 mt-30 -51.38 -54.32 27.75 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.726 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 41.7 t90 -95.2 -52.89 4.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.195 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' R' ' 102' ' ' GLU . 1.9 tp -45.09 -50.67 10.92 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.232 -0.895 . . . . 0.0 113.067 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.56 0.19 0.08 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.253 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 102' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' R' ' 100' ' ' LEU . 20.1 mt-10 -110.29 -33.68 6.57 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.469 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 p -95.31 -25.76 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 119.32 -0.952 . . . . 0.0 112.921 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -24.17 27.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.488 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 N--CA 1.49 1.562 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.167 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.051 0.453 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -90.84 -65.18 1.04 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.412 ' HB2' HG21 ' R' ' 55' ' ' VAL . 2.2 pt-20 -63.75 -35.12 79.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.124 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.704 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 64.8 t-105 -52.48 -68.21 0.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -36.8 84.15 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.259 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -50.25 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.144 -1.023 . . . . 0.0 112.002 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.598 ' HB3' HG22 ' R' ' 55' ' ' VAL . 3.2 t80 -57.89 -49.51 76.48 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.825 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.51 HG23 ' O ' ' S' ' 19' ' ' TRP . 40.8 t -41.06 -43.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.18 -24.41 65.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.353 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.46 -33.95 31.71 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.23 -50.69 49.04 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.833 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' S' ' 27' ' ' LYS . 1.4 pttt -68.76 -26.59 65.3 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.041 -1.064 . . . . 0.0 112.269 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -70.1 -32.83 71.07 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -81.05 -27.17 35.83 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.11 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.95 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.2 OUTLIER -60.43 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.726 -1.19 . . . . 0.0 112.385 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.733 ' C ' ' H ' ' S' ' 33' ' ' ASP . 3.7 pt20 -19.76 -46.46 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.063 0 O-C-N 125.868 1.98 . . . . 0.0 111.943 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.846 ' O ' ' N ' ' S' ' 34' ' ' LEU . 87.6 m-20 -78.78 26.91 0.23 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.95 ' N ' ' O ' ' S' ' 30' ' ' TYR 0.259 0.4 OUTLIER 12.56 23.93 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 112.713 -2.04 . . . . 0.0 115.564 -179.025 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.846 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.4 OUTLIER -102.88 3.72 36.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.445 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' S' ' 30' ' ' TYR . 44.5 p-80 -61.62 22.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.334 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.5 tp -68.44 -38.43 12.77 Favored Pre-proline 0 C--N 1.302 -1.484 0 C-N-CA 118.343 -1.343 . . . . 0.0 113.894 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 4.1 Cg_exo -63.83 -70.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.758 0.972 . . . . 0.0 110.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.5 OUTLIER -44.71 -48.0 10.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.696 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.21 -36.42 70.86 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.562 -1.255 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 40' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' S' ' 37' ' ' PRO . 18.6 t30 -74.29 -39.62 62.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.018 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.28 -48.34 6.73 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 42.36 0.48 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.402 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.7 mt -65.3 -81.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 118.882 -1.127 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.512 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 51.23 114.15 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.449 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.41 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -52.88 -23.53 21.28 Favored 'Trans proline' 0 C--N 1.326 -0.607 0 CA-C-N 118.993 0.676 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.76 -51.53 22.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 3.5 mm-40 -69.97 -43.77 70.82 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.598 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 48' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' S' ' 50' ' ' ALA . 24.6 ttp180 -51.56 -63.43 1.14 Allowed 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.49 -13.08 0.54 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -95.0 -25.97 16.27 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.0 -63.12 1.37 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.52 -39.37 37.12 Favored Glycine 0 N--CA 1.486 1.984 0 C-N-CA 119.651 -1.261 . . . . 0.0 110.186 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -58.89 -42.18 88.91 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -60.4 -60.69 3.41 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.659 -0.817 . . . . 0.0 111.348 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.552 HG12 ' CD2' ' R' ' 22' ' ' PHE . 0.7 OUTLIER -46.6 -28.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.574 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 56' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' S' ' 60' ' ' GLU . 5.8 ttt180 -55.88 -63.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.581 -0.847 . . . . 0.0 111.785 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.531 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.9 OUTLIER -40.59 -49.1 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.065 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.531 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 61.3 t -55.17 -65.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.209 -0.996 . . . . 0.0 112.125 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 0.21 26.2 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.76 -0.776 . . . . 0.0 113.039 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' S' ' 56' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 118.609 -1.236 . . . . 0.0 111.393 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -24.46 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.655 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.67 HD22 HD13 ' S' ' 100' ' ' LEU . 0.4 OUTLIER -66.25 -61.41 2.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.397 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 97' ' ' ARG . . . . . 0.666 ' CD ' ' H ' ' S' ' 97' ' ' ARG . 0.0 OUTLIER -41.4 -33.73 0.45 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.71 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -51.76 -60.62 2.96 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.019 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.563 ' HB2' HD12 ' R' ' 34' ' ' LEU . 52.7 t90 -75.9 -53.39 8.5 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 118.238 -1.385 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.67 HD13 HD22 ' S' ' 96' ' ' LEU . 3.8 tp -31.41 -61.4 0.21 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.006 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -39.75 -38.49 0.65 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.8 mm-40 -79.77 -28.83 40.32 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.614 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 103' ' ' VAL . . . . . 0.547 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.6 OUTLIER -85.28 -38.15 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 118.415 -1.314 . . . . 0.0 112.37 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 104' ' ' LEU . . . . . 0.415 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 2.8 mt -106.47 -80.33 0.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.183 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.951 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -77.62 -62.63 1.6 Allowed 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.96 -38.24 67.52 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.43 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 74.1 t-105 -42.44 -32.59 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' R' ' 21' ' ' ARG . 33.3 mt -112.12 -67.57 0.99 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.053 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 21' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' R' ' 20' ' ' LEU . 1.8 ttt-85 -33.34 -44.34 0.13 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.924 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' R' ' 25' ' ' LEU . 0.5 OUTLIER -93.77 -57.52 2.53 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.997 -1.081 . . . . 0.0 112.333 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 23' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' R' ' 22' ' ' PHE . 42.4 t -40.82 -38.15 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.445 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 24' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' R' ' 25' ' ' LEU . 0.0 OUTLIER -62.09 -42.21 98.99 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.286 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 25' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' R' ' 22' ' ' PHE . 77.6 mt -53.67 -35.96 61.63 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.078 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 26' ' ' LEU . . . . . 0.445 HD23 ' OH ' ' S' ' 30' ' ' TYR . 5.8 tp -51.41 -30.57 19.66 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 117.893 -1.523 . . . . 0.0 108.187 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.93 60.47 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.872 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -49.01 78.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.244 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -62.04 -44.89 95.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.864 -1.135 . . . . 0.0 110.037 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.3 m-85 -47.92 -47.64 32.21 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 116.608 -2.037 . . . . 0.0 109.831 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' R' ' 30' ' ' TYR . 6.1 tt0 -4.0 -63.35 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.065 2.103 . . . . 0.0 110.647 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' R' ' 30' ' ' TYR . 11.6 t-20 -107.41 -94.56 0.38 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 81.9 m-20 -133.5 15.44 4.06 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -73.89 11.8 0.81 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 34.7 p-80 -88.87 -49.87 6.55 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.344 -1.343 . . . . 0.0 110.021 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.561 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.4 mt -42.65 -53.11 10.05 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 11.1 Cg_exo -50.91 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 120.429 0.753 . . . . 0.0 113.157 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.5 pp -62.98 -40.79 98.79 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.185 -1.406 . . . . 0.0 110.768 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 42.7 tp -43.72 -36.55 2.28 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.429 -1.308 . . . . 0.0 109.048 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 40' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' R' ' 41' ' ' LEU . 4.5 t30 -73.73 -30.66 62.95 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.536 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' R' ' 38' ' ' LEU . 47.4 tp -37.84 -35.03 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 81.6 mmm -126.91 55.1 1.58 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.719 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 43' ' ' LEU . . . . . 0.855 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -82.99 4.5 25.67 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 44' ' ' THR . . . . . 0.44 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.5 OUTLIER -39.3 161.11 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.328 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.12 -31.41 90.3 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 121.609 1.539 . . . . 0.0 111.914 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 46' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -59.24 -40.92 87.43 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.615 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 47' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' R' ' 46' ' ' ASP . 0.7 OUTLIER -88.4 -53.15 4.82 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.22 -0.992 . . . . 0.0 111.507 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -54.26 -23.85 16.51 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.654 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 49' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' R' ' 49' ' ' GLU . 7.0 tm-20 -85.58 -18.37 33.56 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.658 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.32 -25.52 16.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.073 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.29 -63.56 1.24 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.924 -1.111 . . . . 0.0 110.776 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.01 27.84 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.709 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -60.8 -42.25 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -68.38 -25.86 65.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.491 -0.883 . . . . 0.0 111.038 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.45 HG13 ' CD2' ' S' ' 22' ' ' PHE . 83.9 t -75.86 -29.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.106 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.31 28.11 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.443 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.536 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 1.6 pt -49.95 -53.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 C-N-CA 119.637 -0.825 . . . . 0.0 112.935 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.569 HG13 ' H ' ' R' ' 59' ' ' GLU . 1.6 p -54.72 -55.9 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.152 -1.419 . . . . 0.0 111.298 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 59' ' ' GLU . . . . . 0.569 ' H ' HG13 ' R' ' 58' ' ' VAL . 8.3 tt0 -49.98 -49.44 50.48 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.16 -49.95 52.13 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.292 -0.963 . . . . 0.0 111.67 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.489 1.506 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.015 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 C--O 1.215 -0.672 0 CA-C-O 120.586 0.161 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' R' R ' 94' ' ' VAL . . . . . 0.474 ' H ' HG13 ' R' ' 94' ' ' VAL . 0.9 OUTLIER -61.2 -7.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.217 -0.993 . . . . 0.0 110.291 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -88.0 -11.04 48.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.492 ' C ' ' N ' ' R' ' 98' ' ' GLN . 16.5 tp -95.62 -35.31 11.66 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 97' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' R' ' 96' ' ' LEU . 57.6 mtp180 -46.95 -22.98 0.38 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.266 -0.974 . . . . 0.0 108.376 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 98' ' ' GLN . . . . . 0.492 ' N ' ' C ' ' R' ' 96' ' ' LEU . 44.4 mm-40 -49.83 -65.67 0.52 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.41 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' R' ' 101' ' ' GLU . 36.0 t90 -82.57 -54.81 4.88 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.127 -1.429 . . . . 0.0 112.086 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' R' ' 99' ' ' TRP . 2.0 tp -39.06 -23.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 101' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' R' ' 99' ' ' TRP . 4.2 mt-10 -67.93 -57.25 6.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.791 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 102' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' R' ' 99' ' ' TRP . 0.0 OUTLIER -51.03 -20.72 1.49 Allowed 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.656 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' R' ' 101' ' ' GLU . 5.4 t -84.4 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.306 -0.958 . . . . 0.0 113.111 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' R' ' 105' ' ' LEU . 12.4 mt -93.03 -17.12 24.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.155 -1.018 . . . . 0.0 113.687 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' R' R ' 105' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' R' ' 101' ' ' GLU . 44.1 tp . . . . . 0 N--CA 1.496 1.854 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.831 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.657 0.265 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.06 -50.14 5.22 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -72.93 -35.4 67.0 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.415 ' O ' HG21 ' S' ' 23' ' ' VAL . 67.1 t-105 -49.41 -16.09 0.18 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.583 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' S' ' 24' ' ' ASP . 13.3 mt -112.06 -61.61 1.69 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.096 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -49.0 28.09 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.45 ' CD2' HG13 ' R' ' 55' ' ' VAL . 75.1 m-85 -87.73 -41.45 13.32 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 118.522 -1.271 . . . . 0.0 112.795 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.415 HG21 ' O ' ' S' ' 19' ' ' TRP . 41.2 t -51.95 -25.09 5.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 1.1 m-20 -67.77 -31.5 71.43 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.566 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.77 -29.27 62.1 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.441 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.72 -39.07 90.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.012 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -24.84 66.18 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.214 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -74.96 -43.19 55.45 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' S' ' 33' ' ' ASP . . . -49.38 -75.16 0.03 OUTLIER 'General case' 0 C--O 1.195 -1.775 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.689 ' C ' ' O ' ' S' ' 29' ' ' ALA . 16.7 m-85 -11.66 -74.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.457 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' S' ' 29' ' ' ALA . 4.2 mm-40 -67.48 -38.17 83.97 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' S' ' 29' ' ' ALA . 8.1 m120 -101.92 -14.47 17.2 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.937 ' O ' ' N ' ' S' ' 35' ' ' HIS . 37.7 t0 -111.66 14.93 21.22 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 1.056 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 15.99 29.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.906 0.86 . . . . 0.0 112.292 -179.522 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.937 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER 5.75 1.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 C-N-CA 131.218 3.807 . . . . 0.0 118.464 -175.175 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.688 ' N ' ' O ' ' S' ' 34' ' ' LEU . 0.5 OUTLIER -51.34 -50.0 78.74 Favored Pre-proline 0 C--N 1.283 -2.322 0 C-N-CA 118.007 -1.477 . . . . 0.0 111.398 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 5.9 Cg_exo -63.29 -73.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 110.324 -0.683 . . . . 0.0 110.324 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' S' ' 39' ' ' LEU . 0.4 OUTLIER -50.28 -56.71 10.05 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.375 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 38.3 tp -43.05 -43.99 4.58 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 117.746 -1.582 . . . . 0.0 111.256 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.27 -22.57 61.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.478 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -50.58 63.23 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 118.782 -1.167 . . . . 0.0 111.22 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 4.3 mmm -110.35 35.83 3.29 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.136 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.4 OUTLIER -46.17 -31.77 2.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.212 -0.995 . . . . 0.0 111.114 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.587 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 31.25 114.42 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.36 -27.5 31.46 Favored 'Trans proline' 0 C--O 1.216 -0.589 0 CA-C-N 118.903 0.644 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -39.9 95.61 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.044 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.62 -43.16 49.42 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.254 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -49.63 -36.87 25.9 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.294 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -29.05 69.26 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.696 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -13.47 30.81 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.622 ' C ' HD13 ' S' ' 51' ' ' LEU . 2.3 tm? -61.67 -72.89 0.11 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.4 -38.37 62.35 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m -67.66 -32.83 73.78 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.431 -0.907 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -64.71 -35.82 82.28 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.482 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.8 OUTLIER -81.12 -22.91 10.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.584 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.55 -37.05 84.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -61.35 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 C-N-CA 118.206 -1.398 . . . . 0.0 111.332 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -46.9 -43.22 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 118.55 -1.26 . . . . 0.0 110.571 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.25 -63.77 1.18 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.347 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.489 1.485 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.523 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.705 0.288 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -71.09 5.9 1.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.48 HD23 ' O ' ' S' ' 96' ' ' LEU . 1.1 tt -99.08 -56.14 2.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -22.28 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.629 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 98' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' S' ' 96' ' ' LEU . 54.7 mt-30 -53.93 -60.38 3.4 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.519 -0.873 . . . . 0.0 110.143 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.515 ' CD1' HD23 ' R' ' 34' ' ' LEU . 35.4 t90 -76.07 -55.56 5.48 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.4 tp -34.28 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.045 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 101' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.8 mt-10 -66.97 -37.37 84.12 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' S' ' 99' ' ' TRP . 36.8 mm-40 -74.67 -29.55 61.28 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.4 -35.96 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.362 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.59 -55.86 2.78 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.159 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.486 1.368 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.071 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 121.149 0.499 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.02 -62.05 2.13 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.7 -20.93 61.14 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.785 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 19' ' ' TRP . . . . . 0.415 ' CZ3' HD13 ' S' ' 51' ' ' LEU . 30.5 t-105 -46.92 -41.94 16.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.593 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.99 -30.34 7.29 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 21' ' ' ARG . . . . . 0.417 ' O ' ' OD2' ' R' ' 24' ' ' ASP . 15.1 ttp-105 -62.89 -25.8 68.48 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.683 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 22' ' ' PHE . . . . . 0.582 ' CD2' HG23 ' S' ' 55' ' ' VAL . 35.6 t80 -103.68 -44.97 4.94 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.013 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.93 -30.9 16.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.613 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 24' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' R' ' 21' ' ' ARG . 2.5 p30 -63.88 -27.86 69.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.002 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.3 -33.94 59.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.203 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 26' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' R' ' 26' ' ' LEU . 55.9 tp -55.02 -48.32 73.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.155 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -25.38 61.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -51.24 44.87 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 29' ' ' ALA . . . . . 0.734 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -57.56 -24.0 53.73 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.533 -1.267 . . . . 0.0 109.937 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 30' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.1 m-85 -68.76 -48.33 63.99 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 116.305 -2.158 . . . . 0.0 108.287 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 31' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' R' ' 30' ' ' TYR . 44.4 tt0 -4.21 -64.52 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 126.342 2.276 . . . . 0.0 110.718 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 32' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' R' ' 30' ' ' TYR . 4.4 t-20 -104.76 -94.79 0.34 Allowed 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 33' ' ' ASP . . . . . 0.46 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 8.8 t70 -133.4 14.61 4.12 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.734 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -70.24 10.18 0.48 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.241 -1.784 . . . . 0.0 115.585 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 35' ' ' HIS . . . . . 0.447 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.0 p-80 -86.35 -49.16 7.86 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 117.481 -1.688 . . . . 0.0 108.141 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.0 OUTLIER -36.26 -56.43 1.24 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.21 -76.5 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.703 0 C-N-CA 120.484 0.789 . . . . 0.0 113.578 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 38' ' ' LEU . . . . . 0.723 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -60.08 -42.67 95.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.433 -1.307 . . . . 0.0 110.619 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' R' R ' 39' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 42.5 tp -47.34 -36.37 9.37 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.365 -1.334 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -32.01 64.86 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.073 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.47 -43.07 7.56 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.035 -1.066 . . . . 0.0 111.009 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.07 43.13 1.03 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.676 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.87 10.45 3.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.03 160.13 0.23 Allowed Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 119.419 -0.913 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -51.72 3.67 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.3 1.333 . . . . 0.0 111.677 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.3 -44.82 88.72 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.847 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.23 -44.29 59.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -48.71 -51.84 26.63 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.51 -39.31 77.65 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.35 -38.94 13.87 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.363 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 51' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 0.2 OUTLIER -49.66 -70.98 0.07 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.948 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.23 -28.72 0.88 Allowed Glycine 0 N--CA 1.483 1.773 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -53.86 25.77 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.48 -12.11 29.12 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 55' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' S' ' 22' ' ' PHE . 47.6 t -87.25 -28.62 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -63.88 -51.87 62.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.642 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 57' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -47.03 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.108 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' R' R ' 58' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' R' ' 57' ' ' ILE . 14.2 t -32.16 -58.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 124.019 0.824 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -46.58 -59.63 2.88 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.57 -22.73 59.97 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.927 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.3 -1.556 0 C-N-CA 118.963 -1.095 . . . . 0.0 111.075 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' R' R ' 93' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' R' ' 95' ' ' GLU . 9.7 Cg_endo . . . . . 0 C--O 1.214 -0.702 0 N-CA-C 111.087 -0.389 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.84 -13.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.978 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 95' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' R' ' 93' ' ' PRO . 21.8 mm-40 -75.77 -0.4 20.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 96' ' ' LEU . . . . . 0.68 ' C ' HD13 ' R' ' 96' ' ' LEU . 3.0 tm? -81.33 -44.37 17.73 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -65.91 -30.21 70.76 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.929 -0.709 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -46.08 -71.44 0.07 Allowed 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 99' ' ' TRP . . . . . 0.662 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 39.5 t90 -67.26 -48.83 66.56 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.213 -1.395 . . . . 0.0 112.052 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -40.17 27.03 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.468 -0.893 . . . . 0.0 113.167 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.23 -16.01 29.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -98.39 -25.59 14.76 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' R' R ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 1.8 p -95.56 -41.01 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 C-N-CA 118.772 -1.171 . . . . 0.0 114.037 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 104' ' ' LEU . . . . . 0.469 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 3.8 mt -90.83 -58.51 2.45 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.901 -1.12 . . . . 0.0 112.406 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--N 1.303 -1.443 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.492 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t60 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -95.04 -46.18 6.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.597 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 18' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mt-10 -72.07 -37.94 69.53 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.522 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 19' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 57.7 t-105 -44.69 -11.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' S' ' 18' ' ' GLU . 11.8 mt -111.2 -63.41 1.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.737 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -44.92 -46.12 10.77 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.454 -0.794 . . . . 0.0 113.127 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 22' ' ' PHE . . . . . 0.473 ' CD1' HG13 ' R' ' 55' ' ' VAL . 22.4 m-85 -81.58 -50.04 9.83 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.911 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 23' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' S' ' 22' ' ' PHE . 96.4 t -46.37 -21.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 C-N-CA 118.362 -1.335 . . . . 0.0 109.596 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 24' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.4 OUTLIER -71.53 -43.87 65.66 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.815 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -64.22 -22.86 67.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.489 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 26' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' S' ' 26' ' ' LEU . 0.2 OUTLIER -65.19 -54.76 24.62 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.36 -1.336 . . . . 0.0 108.93 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -10.9 16.26 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.339 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.58 -45.03 19.95 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.152 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 29' ' ' ALA . . . . . 0.662 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -68.3 -30.79 69.87 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.067 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 30' ' ' TYR . . . . . 0.88 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.9 m-85 -56.15 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.709 -1.196 . . . . 0.0 111.066 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 31' ' ' GLN . . . . . 0.554 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.3 pt20 -20.89 -50.59 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 125.009 1.443 . . . . 0.0 111.973 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 32' ' ' ASN . . . . . 0.81 ' O ' ' N ' ' S' ' 34' ' ' LEU . 12.6 m120 -81.22 32.87 0.34 Allowed 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 33' ' ' ASP . . . . . 0.88 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.3 m-20 19.89 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 124.694 1.246 . . . . 0.0 112.676 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' S' ' 32' ' ' ASN . 2.4 mt -91.01 12.71 18.87 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.22 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 35' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' S' ' 39' ' ' LEU . 26.0 p-80 -76.04 -23.67 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.0 OUTLIER -58.06 -48.4 97.14 Favored Pre-proline 0 N--CA 1.5 2.037 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -179.667 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.5 Cg_exo -56.57 -61.81 0.29 Allowed 'Trans proline' 0 C--N 1.32 -0.964 0 CA-C-N 119.41 0.825 . . . . 0.0 112.466 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' S' ' 39' ' ' LEU . 0.5 OUTLIER -67.19 -37.54 83.85 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.793 -1.563 . . . . 0.0 110.31 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 21.0 tp -52.6 -37.07 57.43 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.303 -1.759 . . . . 0.0 108.383 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -32.35 72.37 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.26 -32.98 0.87 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.074 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 71.1 mmm -127.84 58.02 1.52 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.654 -0.819 . . . . 0.0 112.101 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 43' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.6 pp -89.02 3.41 51.76 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 44' ' ' THR . . . . . 0.457 ' O ' ' O ' ' S' ' 43' ' ' LEU . 1.2 p -31.31 153.2 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.548 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.39 -46.56 30.76 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.42 1.414 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -18.1 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.718 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -108.87 -28.63 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.75 -58.89 3.35 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.211 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.43 -12.27 5.81 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.734 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.54 -30.3 14.46 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 4.7 tt -69.54 -62.62 1.31 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.39 -33.94 17.82 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.878 -1.629 . . . . 0.0 109.264 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 95.3 m -70.63 -32.85 70.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -61.59 -56.74 16.65 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 55' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' R' ' 22' ' ' PHE . 2.3 p -57.01 -35.1 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -51.45 -55.46 18.67 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.221 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -55.08 -54.92 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.875 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 67.8 t -44.96 -63.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.166 -1.014 . . . . 0.0 111.602 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.82 -11.99 15.23 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.781 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.49 1.532 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.967 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -88.89 -31.64 18.14 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.558 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 96' ' ' LEU . . . . . 0.463 HD11 HD23 ' S' ' 100' ' ' LEU . 24.2 tp -78.48 -42.33 30.0 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -52.86 -25.8 12.7 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -63.67 1.05 Allowed 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.434 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 99' ' ' TRP . . . . . 0.527 ' HB2' HD23 ' R' ' 34' ' ' LEU . 32.5 t90 -81.58 -59.19 2.7 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.013 -1.075 . . . . 0.0 111.745 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 100' ' ' LEU . . . . . 0.552 HD21 HG13 ' S' ' 58' ' ' VAL . 0.2 OUTLIER -26.88 -53.16 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.762 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.45 -51.25 8.87 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 102' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' S' ' 99' ' ' TRP . 21.2 mt-10 -59.95 -30.96 69.43 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.531 -0.867 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 14.3 t -68.63 -68.87 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.814 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.64 -77.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.914 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 121.042 0.449 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t 53.69 73.25 0.95 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.651 -0.82 . . . . 0.0 112.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -72.84 -12.9 26.6 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.738 1.626 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -161.54 -2.06 0.05 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.4 113.77 14.35 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.356 -0.938 . . . . 0.0 111.314 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.19 148.15 37.74 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.27 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 161.51 21.02 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -46.63 7.47 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.188 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.33 10.65 0.51 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.008 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 13' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' R' ' 14' ' ' GLN . 68.4 mt-10 54.71 -160.38 0.16 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 14' ' ' GLN . . . . . 0.498 ' N ' ' OE1' ' R' ' 14' ' ' GLN . 0.9 OUTLIER 50.15 177.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.518 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -153.14 -14.28 0.15 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -42.33 -28.75 0.22 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.26 -54.01 9.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.0 OUTLIER -49.13 -74.41 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.945 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' R' ' 18' ' ' GLU . 16.0 t-105 -32.77 -31.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 18' ' ' GLU . 12.4 mt -90.77 -39.22 12.52 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.588 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 21' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' R' ' 18' ' ' GLU . 0.1 OUTLIER -69.54 -23.27 63.56 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.301 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' R' ' 22' ' ' PHE . 0.8 OUTLIER -81.19 -64.82 1.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' R' ' 22' ' ' PHE . 35.6 m -49.0 -30.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.521 -1.272 . . . . 0.0 109.115 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -38.42 67.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 118.963 -1.095 . . . . 0.0 108.939 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.77 -34.87 77.65 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.125 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.69 -44.43 66.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.675 -1.21 . . . . 0.0 109.571 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -57.16 -53.89 53.02 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.397 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -42.98 -53.08 4.94 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.19 -54.0 48.88 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.498 -1.281 . . . . 0.0 110.057 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.8 m-85 -47.37 -70.14 0.1 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' R' ' 30' ' ' TYR . 57.1 tt0 11.7 -70.09 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.678 2.486 . . . . 0.0 110.341 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.3 t-20 -94.74 -95.97 0.17 Allowed 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -151.58 22.41 0.71 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' S' ' 99' ' ' TRP . 7.1 mt -80.7 15.84 1.6 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 114.455 -1.248 . . . . 0.0 114.096 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 17.4 p-80 -96.26 -17.52 20.69 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.348 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 0.3 OUTLIER -47.49 -48.91 56.96 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.584 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -61.59 -69.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.954 0 CA-C-N 118.58 0.529 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -29.6 36.37 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.262 -1.375 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.65 -34.17 72.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 117.69 -1.604 . . . . 0.0 108.323 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.447 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.1 OUTLIER -68.63 -30.28 68.96 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.823 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.444 HD22 ' OD1' ' R' ' 40' ' ' ASN . 3.6 mm? -67.13 -4.6 10.57 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.434 -1.306 . . . . 0.0 107.845 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.447 ' H ' ' C ' ' R' ' 40' ' ' ASN . 0.2 OUTLIER -105.26 16.52 25.55 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.365 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.86 12.31 7.65 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.679 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -45.69 151.89 0.77 Allowed Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.72 -56.37 1.77 Allowed 'Trans proline' 0 C--N 1.322 -0.868 0 C-N-CA 120.84 1.027 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 46' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 2.4 p30 -51.31 -44.57 61.97 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 47' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 2.3 tp10 -76.07 -34.52 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -54.69 -31.14 57.49 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -22.77 20.98 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -11.91 56.3 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.599 HD13 ' C ' ' R' ' 51' ' ' LEU . 2.7 tm? -69.39 -72.42 0.19 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.88 -30.49 5.01 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 119.074 -1.536 . . . . 0.0 109.919 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -71.72 -45.92 60.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -48.15 -38.98 19.28 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -21.96 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 19.6 ttm105 -65.04 -46.43 81.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.676 -0.809 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -59.38 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.312 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.661 HG23 ' N ' ' R' ' 59' ' ' GLU . 31.0 m -32.7 -50.39 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.786 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 59' ' ' GLU . . . . . 0.661 ' N ' HG23 ' R' ' 58' ' ' VAL . 14.8 tt0 -59.4 -53.84 53.56 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.849 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.44 -17.81 64.83 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 119.771 -0.772 . . . . 0.0 112.458 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 61' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' R' ' 61' ' ' LEU . 17.1 mt -73.22 -56.03 5.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.722 -1.191 . . . . 0.0 111.421 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' R' ' 64' ' ' GLY . 1.4 tp -84.46 20.67 1.63 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.387 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 63' ' ' ARG . . . . . 0.532 ' C ' ' H ' ' R' ' 65' ' ' GLU . 20.6 ptt180 -43.96 -11.61 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 64' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' R' ' 62' ' ' LEU . . . -49.31 -6.43 0.06 OUTLIER Glycine 0 N--CA 1.495 2.595 0 C-N-CA 119.57 -1.3 . . . . 0.0 111.542 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 65' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' R' ' 63' ' ' ARG . 0.7 OUTLIER -81.62 35.8 0.42 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.607 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.27 47.01 5.67 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 18.1 t -59.85 116.17 3.91 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -93.82 -59.85 1.89 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.066 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 26.73 10.27 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.22 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.86 8.31 10.51 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.439 -0.904 . . . . 0.0 111.506 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.4 -48.86 79.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 72' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' R' ' 72' ' ' LYS . 0.0 OUTLIER -157.12 138.42 13.76 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.535 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -6.37 12.14 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.221 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -141.29 73.46 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.409 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 75' ' ' LEU . . . . . 0.425 HD23 ' O ' ' R' ' 75' ' ' LEU . 0.8 OUTLIER -69.74 -42.72 73.56 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.722 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 76' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' R' ' 77' ' ' ALA . . . -46.35 -32.81 5.44 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.253 -1.451 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 77' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' R' ' 76' ' ' GLY . . . 178.09 114.79 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.727 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -14.04 1.24 Allowed Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.599 -1.286 . . . . 0.0 110.025 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 tp -71.25 -3.5 3.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.87 17.05 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.214 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 7.3 m -61.16 -4.63 1.18 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.478 ' C ' ' H ' ' R' ' 84' ' ' ARG . 56.7 mt -106.87 -67.6 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.18 6.5 0.74 Allowed 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 84' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' R' ' 82' ' ' ILE . 13.5 ttm180 -41.43 -74.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.368 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.72 -149.69 21.34 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 2.8 t -88.35 108.06 19.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.174 -1.01 . . . . 0.0 110.682 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -14.78 40.16 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -90.91 128.55 36.81 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 89' ' ' LEU . . . . . 0.737 ' H ' HD23 ' R' ' 89' ' ' LEU . 0.0 OUTLIER -54.77 -33.51 61.44 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.744 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -63.99 -23.97 67.54 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 45.75 59.1 3.85 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.661 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.91 68.39 7.44 Favored Pre-proline 0 N--CA 1.487 1.398 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.383 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' R' ' 95' ' ' GLU . 6.3 Cg_endo -73.12 -0.14 8.69 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.941 1.761 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 94' ' ' VAL . . . . . 0.431 ' O ' HG12 ' R' ' 94' ' ' VAL . 66.1 t -54.75 -13.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 95' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' R' ' 93' ' ' PRO . 18.4 mt-10 -75.49 -17.1 60.21 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.523 HD11 HD13 ' R' ' 100' ' ' LEU . 28.0 tp -86.83 -44.7 11.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -47.28 -19.01 0.12 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.31 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' R' ' 96' ' ' LEU . 5.4 mt-30 -62.94 -60.3 3.65 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.894 -0.722 . . . . 0.0 111.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.661 ' CH2' HG21 ' R' ' 103' ' ' VAL . 34.1 t90 -81.46 -53.07 6.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.467 -1.293 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.523 HD13 HD11 ' R' ' 96' ' ' LEU . 2.4 tp -42.64 -53.68 4.34 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.567 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.76 -19.76 2.69 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.25 -13.46 20.79 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.661 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.0 OUTLIER -102.22 -29.59 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.294 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -33.54 22.03 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.638 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' R' ' 106' ' ' LYS . 1.3 mp -105.95 -51.7 2.94 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.38 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 106' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' R' ' 105' ' ' LEU . 11.0 tttp 59.79 118.46 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.444 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 4' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' S' ' 5' ' ' SER . 10.0 tt0 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 5' ' ' SER . . . . . 0.461 ' O ' ' O ' ' S' ' 4' ' ' GLN . 0.3 OUTLIER 54.34 167.15 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -58.81 -50.62 8.7 Favored 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 120.802 1.001 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.47 18.91 0.73 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 62.41 137.96 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.71 -171.4 2.2 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.8 151.55 23.72 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 27.8 mtm -115.27 172.81 6.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.792 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.95 142.95 42.37 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.593 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -151.85 157.41 41.86 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -146.58 -154.53 0.55 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.493 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 15' ' ' ARG . . . . . 0.545 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 2.8 ptp180 -43.39 115.23 0.74 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.909 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' S' ' 15' ' ' ARG . 1.6 m-70 -179.39 73.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.71 -34.83 11.79 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.609 -0.837 . . . . 0.0 112.541 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mm-40 -91.37 -45.01 8.81 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.202 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -42.75 -13.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' S' ' 18' ' ' GLU . 81.6 mt -115.52 -81.22 0.61 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.861 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -39.27 -39.61 0.65 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.807 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' S' ' 25' ' ' LEU . 0.7 OUTLIER -85.25 -54.51 4.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.764 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' S' ' 22' ' ' PHE . 42.4 t -46.86 -23.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 118.541 -1.264 . . . . 0.0 109.686 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.6 OUTLIER -69.82 -41.05 75.52 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 119.386 -0.925 . . . . 0.0 108.834 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' S' ' 22' ' ' PHE . 73.8 mt -59.33 -28.23 66.63 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.363 -0.935 . . . . 0.0 108.989 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.85 -40.95 81.36 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.691 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -68.84 -24.18 64.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.463 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.99 -50.11 57.61 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.861 -1.135 . . . . 0.0 110.138 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -58.71 -44.33 90.35 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.94 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.764 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.2 m-85 -48.56 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.207 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.1 OUTLIER -13.72 -66.3 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 125.049 1.468 . . . . 0.0 112.798 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' S' ' 34' ' ' LEU . 13.8 m120 -77.32 35.24 0.17 Allowed 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.706 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.764 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.6 OUTLIER 31.78 28.36 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.448 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.4 mt -91.82 14.46 15.39 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.398 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' S' ' 36' ' ' LEU . 26.7 p-80 -77.73 -21.4 51.94 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.3 mm? -35.59 -60.67 0.6 Allowed Pre-proline 0 N--CA 1.496 1.862 0 C-N-CA 119.441 -0.903 . . . . 0.0 111.497 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' S' ' 38' ' ' LEU . 1.6 Cg_endo -59.17 -72.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.339 0.693 . . . . 0.0 110.301 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' S' ' 41' ' ' LEU . 0.5 OUTLIER -38.86 -62.46 0.62 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.002 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.431 ' C ' HD13 ' S' ' 39' ' ' LEU . 0.3 OUTLIER -43.36 -70.19 0.11 Allowed 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.238 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -50.17 -18.12 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 41' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' S' ' 38' ' ' LEU . 18.8 tp -55.34 -69.57 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.07 47.17 1.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.616 -0.833 . . . . 0.0 112.762 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 44' ' ' THR . 1.6 mt -61.13 -71.76 0.13 Allowed 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.537 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 73.07 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.792 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 45' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' S' ' 46' ' ' ASP . 3.1 Cg_exo -53.17 -61.0 0.52 Allowed 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 120.848 1.032 . . . . 0.0 112.051 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' S' ' 45' ' ' PRO . 39.8 t0 -38.16 -47.73 1.18 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.256 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.3 tp10 -67.66 -39.97 84.53 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 48' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' S' ' 45' ' ' PRO . 72.1 ttt180 -50.32 -47.83 55.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.518 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.68 13.26 1.04 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -109.09 -42.95 4.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.865 -0.734 . . . . 0.0 111.967 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.846 HD12 ' N ' ' S' ' 52' ' ' GLY . 3.1 pp -47.53 -54.12 12.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 52' ' ' GLY . . . . . 0.846 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -59.01 -47.58 90.07 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 118.955 -1.593 . . . . 0.0 109.927 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -64.19 -8.01 11.04 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.708 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' S' ' 56' ' ' ARG . 2.0 tpp180 -90.68 -65.68 0.99 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.218 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.409 HG12 ' O ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -47.66 -23.3 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.305 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.03 -62.58 1.68 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.714 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.8 OUTLIER -42.69 -53.16 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.773 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 12.2 t -55.98 -68.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.46 -10.13 0.23 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.672 -0.811 . . . . 0.0 111.74 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 60' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' S' ' 64' ' ' GLY . 30.7 mt-10 -96.13 -57.66 2.28 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 60' ' ' GLU . 26.8 mt -41.27 -36.23 0.75 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -59.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.237 -0.985 . . . . 0.0 111.517 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -89.24 23.38 2.5 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.892 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' S' ' 60' ' ' GLU . . . -107.94 -21.1 7.96 Favored Glycine 0 N--CA 1.499 2.854 0 C-N-CA 119.604 -1.284 . . . . 0.0 111.215 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 14.66 0.8 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 13.6 mmt -127.7 6.71 6.18 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.723 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.93 138.93 38.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.509 -0.877 . . . . 0.0 111.223 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -90.84 -25.15 20.03 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.709 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -74.51 -2.54 26.18 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 55.82 85.69 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.603 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -17.3 14.46 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -142.11 8.76 1.87 Allowed 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -104.28 -41.47 5.77 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -152.63 79.73 1.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tp -122.2 -21.0 6.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.78 -36.64 3.7 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.213 -1.47 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.63 6.27 3.74 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 78' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' S' ' 80' ' ' ALA . . . -71.98 -51.38 14.76 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.421 -1.371 . . . . 0.0 110.586 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.727 ' O ' HG22 ' S' ' 79' ' ' ILE . 82.7 mt -73.73 28.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 80' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' S' ' 78' ' ' GLY . . . -58.88 -102.55 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.651 -0.819 . . . . 0.0 112.092 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 81' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' S' ' 81' ' ' THR . 0.9 OUTLIER -106.95 12.15 29.08 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.416 ' H ' HG23 ' S' ' 82' ' ' ILE . 1.4 pt -63.87 -34.27 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 118.02 -1.472 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' S' ' 82' ' ' ILE . 25.3 m -105.04 -51.51 3.02 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.754 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -54.39 -68.71 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.04 -93.29 1.6 Allowed Glycine 0 N--CA 1.49 2.261 0 C-N-CA 119.397 -1.382 . . . . 0.0 110.353 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -139.82 -56.78 0.56 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.35 113.14 6.37 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.244 -0.983 . . . . 0.0 111.72 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 38.4 t -160.92 106.77 1.42 Allowed 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.441 HD23 ' N ' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -94.71 -98.65 0.16 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.59 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.54 28.76 5.61 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.016 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.19 -4.01 3.48 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.501 -0.88 . . . . 0.0 111.656 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' S' ' 93' ' ' PRO . . . -89.24 -44.68 0.43 Allowed Pre-proline 0 C--N 1.305 -1.355 0 C-N-CA 119.06 -1.056 . . . . 0.0 112.387 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 3.1 Cg_endo -72.97 -42.5 1.01 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.888 1.058 . . . . 0.0 111.147 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 94' ' ' VAL . . . . . 0.407 HG23 ' H ' ' S' ' 94' ' ' VAL . 2.5 t -54.98 -12.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.18 -1.008 . . . . 0.0 109.978 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 95' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' S' ' 93' ' ' PRO . 89.6 mt-10 -99.0 -19.88 17.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.791 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.541 HD11 HD13 ' S' ' 100' ' ' LEU . 28.8 tp -80.88 -52.26 7.67 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -43.69 -29.32 0.5 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.48 -62.5 1.61 Allowed 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.804 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.513 ' CZ3' HG11 ' S' ' 103' ' ' VAL . 36.1 t90 -77.23 -55.95 4.98 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.735 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.541 HD13 HD11 ' S' ' 96' ' ' LEU . 2.7 tp -33.94 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.265 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 101' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' S' ' 99' ' ' TRP . 0.0 OUTLIER -63.38 -43.03 98.8 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.349 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.3 mt-10 -68.47 -33.33 73.97 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.513 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.7 p -85.84 -41.36 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 C-N-CA 118.107 -1.437 . . . . 0.0 113.917 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.38 -34.51 17.56 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.914 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.44 -43.99 9.92 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.71 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt 53.08 72.52 0.42 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 116.298 -1.81 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t 60.16 68.6 1.38 Allowed Pre-proline 0 N--CA 1.491 1.601 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.644 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -71.96 -10.16 25.74 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.627 1.551 . . . . 0.0 111.43 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -92.74 28.76 1.95 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.308 -0.957 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 11.4 p -173.64 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.214 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.49 139.4 38.13 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.53 113.56 21.87 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.495 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 11' ' ' MET . . . . . 0.438 ' O ' ' O ' ' R' ' 12' ' ' ALA . 19.0 mmm -60.69 117.05 4.88 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.604 -0.839 . . . . 0.0 111.75 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 12' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' R' ' 11' ' ' MET . . . 53.03 108.24 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.354 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -66.93 -3.55 7.3 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -112.25 31.14 6.49 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.73 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -95.67 30.57 2.28 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.211 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 40.16 35.89 0.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.936 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -88.82 -19.55 25.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.423 ' OE2' HG11 ' S' ' 55' ' ' VAL . 16.4 tt0 -103.88 -42.39 5.6 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.494 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 24.2 t-105 -49.25 -13.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -114.42 -66.05 1.13 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.317 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -36.66 -45.16 0.5 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.41 ' C ' ' N ' ' R' ' 24' ' ' ASP . 55.0 m-85 -81.76 -45.69 15.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.511 -1.276 . . . . 0.0 111.049 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 t -55.32 -15.96 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.257 -1.377 . . . . 0.0 109.018 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 24' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' R' ' 22' ' ' PHE . 79.6 m-20 -80.03 -25.2 40.28 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.822 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -81.25 -21.05 39.72 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 26' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -57.93 -48.02 81.14 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.48 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 27' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -63.09 -37.71 88.29 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.453 -1.299 . . . . 0.0 110.187 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.76 -52.98 16.68 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.346 -1.341 . . . . 0.0 110.03 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -60.23 -42.43 95.21 Favored 'General case' 0 C--N 1.305 -1.37 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.663 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.5 m-85 -51.63 -68.62 0.15 Allowed 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 116.986 -1.886 . . . . 0.0 109.518 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.1 OUTLIER 11.02 -69.34 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 126.864 2.602 . . . . 0.0 110.633 -179.437 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.7 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -96.07 -91.54 0.23 Allowed 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 25.5 t0 -151.51 23.37 0.71 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.599 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.2 mp -81.9 15.62 2.19 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.504 -1.278 . . . . 0.0 113.914 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 6.7 p-80 -92.59 -34.36 14.05 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.001 -1.48 . . . . 0.0 111.007 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 1.1 tp -51.2 -49.17 83.09 Favored Pre-proline 0 N--CA 1.489 1.511 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -58.77 -64.55 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 CA-C-N 118.829 0.618 . . . . 0.0 112.198 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.488 ' HG ' ' N ' ' R' ' 39' ' ' LEU . 1.1 pp -61.15 -31.07 70.8 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.674 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.488 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 36.4 tp -64.56 -34.65 78.73 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.471 -1.292 . . . . 0.0 109.346 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' R' ' 43' ' ' LEU . 7.5 m-80 -72.96 -35.06 66.85 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.315 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.722 HD23 ' N ' ' R' ' 42' ' ' MET . 0.0 OUTLIER -45.27 -26.04 0.46 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.722 ' N ' HD23 ' R' ' 41' ' ' LEU . 0.0 OUTLIER -102.65 41.25 1.26 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.822 0.82 . . . . 0.0 109.227 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' R' ' 40' ' ' ASN . 2.9 mt -69.51 11.47 0.25 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.653 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -54.13 147.08 27.38 Favored Pre-proline 0 C--N 1.3 -1.553 0 C-N-CA 118.294 -1.362 . . . . 0.0 110.14 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.82 -28.15 75.31 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.33 1.354 . . . . 0.0 111.708 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 46' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -60.13 -52.66 64.4 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 47' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 5.3 mm-40 -60.17 -36.01 76.65 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -59.37 4.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.526 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.76 -21.34 10.75 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.5 -24.86 25.4 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.583 HD13 ' C ' ' R' ' 51' ' ' LEU . 1.4 tm? -70.36 -75.73 0.11 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.413 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 52' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' R' ' 51' ' ' LEU . . . -37.59 -45.64 1.44 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.947 -1.121 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 53' ' ' THR . . . . . 0.514 ' O ' ' N ' ' R' ' 55' ' ' VAL . 13.9 p -61.49 -60.85 3.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.972 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' R' ' 53' ' ' THR . 37.9 ttm180 -37.54 -27.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' R' ' 53' ' ' THR . 12.6 t -85.9 -35.51 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 119.228 -0.989 . . . . 0.0 111.958 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 56' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' R' ' 53' ' ' THR . 5.5 mmt85 -54.93 -47.3 74.61 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.975 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.565 ' H ' HD13 ' R' ' 57' ' ' ILE . 0.0 OUTLIER -53.47 -72.39 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.99 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.7 t -40.5 -53.28 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.764 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -45.76 -39.05 7.7 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' R' ' 57' ' ' ILE . 2.1 tp10 -68.61 -52.29 33.14 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.803 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -45.56 -23.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -41.35 -52.29 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.444 -0.903 . . . . 0.0 111.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -126.46 14.51 7.66 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.19 17.38 58.97 Favored Glycine 0 N--CA 1.493 2.447 0 C-N-CA 119.406 -1.378 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.07 11.27 12.07 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 66' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' R' ' 66' ' ' MET . 0.2 OUTLIER -91.61 -61.78 1.57 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.575 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -148.8 167.72 24.87 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.538 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.65 -47.75 84.4 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.51 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -64.59 -18.36 64.82 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 112.169 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 70' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' R' ' 70' ' ' GLU . 0.3 OUTLIER -75.49 -35.6 60.79 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.826 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -46.78 -76.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.505 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 120.95 21.11 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.768 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 73' ' ' ASN . . . . . 0.493 ' CG ' ' H ' ' R' ' 74' ' ' GLU . 9.6 p30 -81.96 -94.04 0.05 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.865 -1.134 . . . . 0.0 111.942 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 74' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' R' ' 73' ' ' ASN . 5.8 pt-20 -157.74 32.92 0.26 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.482 -1.287 . . . . 0.0 112.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.04 -34.11 76.97 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.222 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.44 -57.49 0.39 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.533 -1.318 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.11 -124.01 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.04 -20.9 36.99 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 119.456 -1.354 . . . . 0.0 110.655 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.8 -31.21 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.446 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 80' ' ' ALA . . . . . 0.576 ' O ' HG22 ' R' ' 83' ' ' THR . . . -50.08 -39.26 41.9 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.447 -0.901 . . . . 0.0 111.464 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -33.87 40.97 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.733 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.77 23.08 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 119.046 -1.061 . . . . 0.0 111.193 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 83' ' ' THR . . . . . 0.576 HG22 ' O ' ' R' ' 80' ' ' ALA . 11.8 t -103.29 14.09 32.35 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -48.11 32.65 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.8 168.19 24.36 Favored Glycine 0 N--CA 1.488 2.104 0 C-N-CA 118.979 -1.581 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -157.75 4.19 0.12 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.244 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -113.15 40.83 2.24 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.145 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 17.4 m 56.03 76.28 0.29 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 15.9 tp -87.23 -71.14 0.57 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.456 -0.897 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 90' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' R' ' 91' ' ' ALA . 0.0 OUTLIER -82.27 -19.72 38.98 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.638 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 91' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' R' ' 92' ' ' ALA . . . 167.86 -71.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.515 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 92' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' R' ' 91' ' ' ALA . . . 167.25 149.2 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.746 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' R' ' 95' ' ' GLU . 5.3 Cg_endo -65.11 -33.65 49.29 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 121.058 1.172 . . . . 0.0 111.099 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.77 -24.69 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 95' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' R' ' 93' ' ' PRO . 9.3 mm-40 -67.07 -38.54 85.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.414 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' R' ' 98' ' ' GLN . 17.9 tp -71.15 -46.43 61.49 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.745 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -43.52 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.477 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' R' ' 96' ' ' LEU . 38.3 mm-40 -54.5 -58.43 7.48 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' S' ' 29' ' ' ALA . 36.1 t90 -88.34 -51.67 5.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 118.454 -1.298 . . . . 0.0 112.543 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 tp -46.02 -22.66 0.23 Allowed 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 101' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' R' ' 101' ' ' GLU . 16.2 tt0 -71.33 -4.23 24.93 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.294 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.81 -28.01 7.23 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.624 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 0.3 OUTLIER -86.75 -45.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.441 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 48.9 mt -87.53 -62.44 1.5 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 118.296 -1.361 . . . . 0.0 112.113 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' R' ' 104' ' ' LEU . 3.1 tp -38.68 -64.77 0.41 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.754 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -84.41 109.58 17.98 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.244 -0.983 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 116.373 -1.775 . . . . 0.0 110.688 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.486 1.371 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.53 161.27 77.1 Favored Pre-proline 0 C--N 1.304 -1.378 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -5.49 5.54 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 121.778 1.652 . . . . 0.0 111.844 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -64.69 0.75 Allowed 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -173.01 97.15 0.12 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.49 63.85 0.12 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 -77.84 0.09 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 11' ' ' MET . . . . . 0.507 ' C ' ' H ' ' S' ' 13' ' ' GLU . 3.1 ptm -162.43 36.02 0.11 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.762 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 1.54 0.13 Allowed 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 13' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' S' ' 11' ' ' MET . 1.1 tp10 -85.42 85.83 7.41 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.514 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -132.21 63.98 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.64 44.79 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.2 t60 -179.96 -3.54 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.832 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -99.38 -40.03 8.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.423 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' S' ' 19' ' ' TRP . 2.2 mm-40 -96.96 -31.75 12.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.828 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.537 ' O ' HG22 ' S' ' 23' ' ' VAL . 63.3 t-105 -38.16 -46.58 1.06 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.395 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.92 -54.47 5.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -49.71 3.87 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' S' ' 25' ' ' LEU . 42.7 t80 -82.47 -66.03 0.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.537 HG22 ' O ' ' S' ' 19' ' ' TRP . 11.9 m -34.95 -39.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.994 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.506 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.2 OUTLIER -58.55 -44.01 89.5 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.968 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' S' ' 22' ' ' PHE . 39.7 mt -63.93 -39.98 95.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.178 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.81 -39.04 62.07 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 118.969 -1.093 . . . . 0.0 110.051 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -67.62 -28.69 67.95 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.782 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -66.55 -45.71 78.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.052 -1.059 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -64.88 -39.46 93.58 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.622 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -47.04 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.714 -0.795 . . . . 0.0 110.461 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.6 tt0 -15.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.213 1.571 . . . . 0.0 113.393 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' S' ' 34' ' ' LEU . 29.9 m120 -73.38 33.85 0.08 Allowed 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.1 OUTLIER 32.39 28.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.754 0.787 . . . . 0.0 111.244 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.6 OUTLIER -93.25 14.05 19.4 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.766 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.505 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 5.0 p-80 -97.96 4.53 49.42 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.973 -1.012 . . . . 0.0 113.381 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -47.67 -52.28 39.24 Favored Pre-proline 0 C--N 1.298 -1.647 0 C-N-CA 117.081 -1.848 . . . . 0.0 111.767 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' S' ' 40' ' ' ASN . 5.1 Cg_exo -63.12 -67.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.054 0 N-CA-C 110.322 -0.684 . . . . 0.0 110.322 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.6 OUTLIER -44.62 -52.43 8.15 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.05 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 63.1 tp -47.67 -38.38 14.82 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 118.306 -1.358 . . . . 0.0 109.834 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 40' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' S' ' 37' ' ' PRO . 7.5 t-20 -81.57 -20.66 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 41' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' S' ' 41' ' ' LEU . 1.0 OUTLIER -56.99 -34.1 67.79 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 46.97 1.43 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.98 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' S' ' 44' ' ' THR . 5.2 mt -81.92 -80.06 0.16 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.19 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.538 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.0 OUTLIER 46.53 171.63 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.438 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -75.73 -42.92 0.38 Allowed 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 120.904 1.069 . . . . 0.0 112.175 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -55.25 -60.91 2.74 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.129 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.83 -25.72 65.7 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.32 -0.952 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -57.09 -46.25 82.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.743 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' S' ' 49' ' ' GLU . 14.1 tt0 -84.57 4.07 33.81 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.16 -24.82 13.55 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.901 HD12 ' N ' ' S' ' 52' ' ' GLY . 4.0 pp -63.68 -51.5 64.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.389 -1.325 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 52' ' ' GLY . . . . . 0.901 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -56.58 -50.15 64.98 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 118.908 -1.615 . . . . 0.0 109.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -57.41 -58.64 7.38 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.363 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' S' ' 57' ' ' ILE . 8.8 ttp85 -44.87 -23.8 0.16 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.741 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.423 HG11 ' OE2' ' R' ' 18' ' ' GLU . 76.2 t -91.29 -35.7 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 119.042 -1.063 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' S' ' 57' ' ' ILE . 3.2 mtm-85 -58.57 -47.86 82.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.296 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.655 HD12 HD21 ' R' ' 41' ' ' LEU . 0.2 OUTLIER -45.09 -76.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 119.134 -1.026 . . . . 0.0 109.394 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' S' ' 57' ' ' ILE . 33.3 t -29.91 -58.01 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 124.239 0.962 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.28 -69.19 0.19 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.723 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.5 -9.52 49.59 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.734 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.5 OUTLIER -83.04 -38.03 23.12 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.515 -1.674 . . . . 0.0 110.684 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 tp -82.12 -24.12 35.3 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.148 -1.421 . . . . 0.0 110.785 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 63' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' S' ' 63' ' ' ARG . 8.6 ttp180 -92.65 -5.79 50.71 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.95 -30.98 67.31 Favored Glycine 0 N--CA 1.49 2.291 0 C-N-CA 119.306 -1.426 . . . . 0.0 109.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -44.18 -43.95 7.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -46.23 9.07 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.8 98.23 10.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.082 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -85.8 -63.2 1.36 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.757 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 69' ' ' ARG . . . . . 0.494 ' O ' ' NZ ' ' S' ' 72' ' ' LYS . 1.3 mtt-85 -53.99 -42.18 68.73 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.731 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -81.26 44.62 0.79 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.37 -0.932 . . . . 0.0 111.942 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 71' ' ' LEU . . . . . 0.456 HD23 ' O ' ' S' ' 71' ' ' LEU . 1.0 OUTLIER -71.81 -53.19 14.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.951 -1.1 . . . . 0.0 110.641 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 72' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' S' ' 69' ' ' ARG . 0.0 OUTLIER -92.14 70.08 5.32 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.97 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.97 17.62 5.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.236 -0.986 . . . . 0.0 111.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -72.73 -83.01 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.319 -0.952 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' S' ' 75' ' ' LEU . 0.2 OUTLIER -129.53 -32.58 1.93 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.432 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.18 -25.73 0.35 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.204 -1.474 . . . . 0.0 110.698 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.55 -168.99 2.2 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.662 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.83 29.77 31.0 Favored Glycine 0 N--CA 1.487 2.095 0 C-N-CA 119.386 -1.387 . . . . 0.0 110.272 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.499 HD13 ' O ' ' S' ' 79' ' ' ILE . 0.0 OUTLIER -86.32 -5.49 10.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.981 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 80' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' S' ' 84' ' ' ARG . . . -81.07 -56.63 3.97 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 81' ' ' THR . . . . . 0.443 HG22 ' H ' ' S' ' 81' ' ' THR . 0.2 OUTLIER -45.14 -23.1 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.658 -0.817 . . . . 0.0 111.568 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 45.0 mt -92.03 -67.58 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.596 ' O ' HG22 ' S' ' 83' ' ' THR . 98.5 m -92.23 31.97 1.23 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' S' ' 80' ' ' ALA . 0.4 OUTLIER -34.48 -63.08 0.31 Allowed 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.607 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.17 145.97 10.75 Favored Glycine 0 N--CA 1.489 2.177 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 5.0 t -56.46 -69.12 0.16 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.739 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 42.2 35.25 0.57 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.532 -0.867 . . . . 0.0 111.015 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -166.56 76.18 0.19 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.68 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.95 20.21 15.89 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.45 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 90' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' S' ' 91' ' ' ALA . 41.4 mmtt -101.34 -76.14 0.57 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.762 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 91' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' S' ' 90' ' ' LYS . . . 169.21 48.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.84 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' S' ' 93' ' ' PRO . . . -74.52 -43.28 5.38 Favored Pre-proline 0 C--N 1.304 -1.391 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.125 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 3.3 Cg_endo -72.01 -15.77 29.13 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.205 1.27 . . . . 0.0 111.967 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 94' ' ' VAL . . . . . 0.534 HG21 ' HB1' ' S' ' 91' ' ' ALA . 5.7 t -61.17 -14.9 11.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.29 -11.0 42.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.817 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.499 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -88.04 -45.88 9.8 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.934 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -25.16 2.4 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.178 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -46.65 -63.72 0.95 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.245 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.599 ' CD1' HD23 ' R' ' 34' ' ' LEU . 34.9 t90 -83.46 -60.12 2.23 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.787 -1.165 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.499 HD13 HD22 ' S' ' 96' ' ' LEU . 1.5 tp -30.26 -53.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.484 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.14 -48.94 78.7 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.598 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.42 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.8 -0.76 . . . . 0.0 112.87 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.43 -22.91 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 119.176 -1.01 . . . . 0.0 112.996 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -39.07 8.21 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.056 -1.057 . . . . 0.0 112.374 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -49.38 -37.43 25.0 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.781 -1.168 . . . . 0.0 111.564 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -76.7 144.49 39.32 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 116.297 -1.811 . . . . 0.0 110.615 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.865 0.364 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 53.99 68.9 2.46 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 119.554 -0.858 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 6' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' R' ' 7' ' ' TYR . 4.3 Cg_exo -63.14 141.08 81.53 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.672 1.581 . . . . 0.0 111.4 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 7' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' R' ' 7' ' ' TYR . 0.1 OUTLIER 56.12 174.54 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.684 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.28 103.3 0.74 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.776 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.2 -63.0 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.44 156.37 24.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 42.0 mtm -132.35 15.36 4.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.9 86.1 2.33 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.724 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -158.15 51.58 0.42 Allowed 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.324 -0.95 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -148.92 24.84 0.94 Allowed 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 15' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' R' ' 16' ' ' HIS . 5.6 ptt180 -160.14 169.54 23.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.19 -1.004 . . . . 0.0 110.947 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 16' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' R' ' 15' ' ' ARG . 3.6 t60 75.32 -28.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 17' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' R' ' 15' ' ' ARG . 4.3 pt20 -89.07 -20.19 24.66 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.019 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' R' ' 20' ' ' LEU . 3.8 pt-20 -106.04 -36.95 6.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.638 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.454 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.4 t-105 -48.48 -10.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.387 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' R' ' 18' ' ' GLU . 34.3 mt -112.7 -53.2 2.73 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -58.24 9.05 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -48.24 24.26 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.852 -1.139 . . . . 0.0 113.914 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.454 ' H ' HG23 ' R' ' 23' ' ' VAL . 5.6 t -48.65 -39.68 10.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.477 -1.289 . . . . 0.0 111.787 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -28.1 69.19 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.74 -33.05 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.577 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.86 -45.78 64.2 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.316 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -62.69 -26.96 68.92 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -54.49 37.1 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.125 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.48 21.31 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.492 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' R' ' 32' ' ' ASN . 9.8 m-85 -46.93 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.866 -1.534 . . . . 0.0 110.449 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.0 OUTLIER 1.5 -68.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.767 2.542 . . . . 0.0 112.256 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.4 m-80 -76.34 -98.46 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.509 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.972 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.07 23.8 0.49 Allowed 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' R' ' 34' ' ' LEU . 3.2 mm? -89.83 10.34 24.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 6.4 p-80 -67.96 -53.22 27.79 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.019 -1.872 . . . . 0.0 110.168 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.3 mm? -26.7 -63.01 0.16 Allowed Pre-proline 0 N--CA 1.506 2.335 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 4.7 Cg_endo -53.01 -90.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 120.922 1.081 . . . . 0.0 113.262 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' R' ' 39' ' ' LEU . 0.6 OUTLIER -48.15 -46.33 34.33 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 119.1 -1.04 . . . . 0.0 111.619 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' R' ' 38' ' ' LEU . 40.0 tp -35.49 -46.21 0.38 Allowed 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.661 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' R' ' 42' ' ' MET . 12.0 t-20 -71.49 -43.44 66.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.536 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' R' ' 38' ' ' LEU . 3.6 tp -67.95 4.56 1.14 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.555 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.452 ' H ' ' C ' ' R' ' 40' ' ' ASN . 1.1 tmt? -106.67 -35.77 6.92 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.135 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' R' ' 44' ' ' THR . 12.7 mt -101.01 -32.1 10.78 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.473 -0.891 . . . . 0.0 112.766 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.503 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER 56.05 156.58 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.542 -0.863 . . . . 0.0 108.783 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -40.85 -61.46 0.48 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.605 1.536 . . . . 0.0 113.039 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.13 -58.29 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.11 -9.47 56.62 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 118.689 -1.205 . . . . 0.0 111.948 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -66.76 -64.74 0.79 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 117.729 -1.588 . . . . 0.0 109.683 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.9 -24.68 3.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.6 81.44 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.9 -36.21 7.3 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.072 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.27 58.25 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 9.5 m -50.62 -24.65 3.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 54' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' R' ' 56' ' ' ARG . 0.0 OUTLIER -72.92 -66.37 0.68 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.314 -0.954 . . . . 0.0 109.181 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.505 HG13 ' CD1' ' S' ' 22' ' ' PHE . 88.1 t -45.85 -15.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 C-N-CA 119.254 -0.979 . . . . 0.0 110.732 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 56' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' R' ' 54' ' ' ARG . 0.0 OUTLIER -67.69 -49.17 64.08 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.688 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -62.71 -76.59 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 118.536 -1.266 . . . . 0.0 110.073 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.579 HG23 ' N ' ' R' ' 59' ' ' GLU . 27.6 m -35.39 -46.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.493 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 59' ' ' GLU . . . . . 0.579 ' N ' HG23 ' R' ' 58' ' ' VAL . 26.8 tt0 -58.91 -45.68 89.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.024 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.6 -30.38 62.96 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.733 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 61' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' R' ' 63' ' ' ARG . 13.1 mt -70.22 -19.33 63.16 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.124 -1.031 . . . . 0.0 111.386 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.507 HD23 ' O ' ' R' ' 59' ' ' GLU . 0.4 OUTLIER -38.33 -26.03 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.566 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 63' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' R' ' 61' ' ' LEU . 6.3 mmt180 -78.79 -92.24 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.643 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.91 -101.32 1.17 Allowed Glycine 0 N--CA 1.496 2.695 0 C-N-CA 119.77 -1.205 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -178.3 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 2.9 mmt -70.47 -90.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -179.27 58.55 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.684 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -62.77 -66.83 0.48 Allowed 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.399 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -96.78 -92.17 0.23 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.762 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -137.49 70.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.838 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 27.7 mt -103.95 7.8 36.73 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.731 -0.787 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -160.36 51.62 0.3 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.561 -0.856 . . . . 0.0 110.636 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -91.99 24.95 3.0 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.731 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 74' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' R' ' 75' ' ' LEU . 3.9 tt0 46.01 65.53 1.15 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.966 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 75' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' R' ' 74' ' ' GLU . 5.5 mt -36.5 -72.17 0.06 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.769 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.89 -2.03 5.15 Favored Glycine 0 N--CA 1.494 2.506 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.203 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.46 -20.7 13.17 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.33 131.05 1.18 Allowed Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.443 HD12 ' N ' ' R' ' 79' ' ' ILE . 1.7 mp -88.96 -27.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.437 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.56 -100.42 0.08 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.49 10.31 8.51 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.819 -0.753 . . . . 0.0 112.663 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 57.6 mt -54.02 -28.45 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 117.736 -1.586 . . . . 0.0 109.501 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 83' ' ' THR . . . . . 0.507 ' O ' ' C ' ' R' ' 84' ' ' ARG . 7.3 m -87.18 24.07 1.66 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.514 -0.875 . . . . 0.0 109.299 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 84' ' ' ARG . . . . . 0.507 ' C ' ' O ' ' R' ' 83' ' ' THR . 0.4 OUTLIER -4.61 -69.54 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.818 1.323 . . . . 0.0 113.454 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.65 78.22 0.09 OUTLIER Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.473 -1.346 . . . . 0.0 110.732 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 86' ' ' SER . . . . . 0.416 ' N ' ' O ' ' R' ' 84' ' ' ARG . 3.7 m -103.29 -27.44 12.47 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -132.05 -86.46 0.47 Allowed 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 1.3 p -169.71 59.97 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 89' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' R' ' 91' ' ' ALA . 1.0 OUTLIER -113.84 3.01 15.3 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.787 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -76.81 25.53 0.14 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 91' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' R' ' 89' ' ' LEU . . . -73.53 -25.97 60.65 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.408 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.88 64.37 2.63 Favored Pre-proline 0 N--CA 1.489 1.477 0 C-N-CA 118.592 -1.243 . . . . 0.0 112.69 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -72.61 -29.88 12.63 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.539 1.492 . . . . 0.0 110.545 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.72 -21.7 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.31 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.51 -10.54 26.43 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.021 -1.072 . . . . 0.0 110.294 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.414 HD23 ' O ' ' R' ' 96' ' ' LEU . 1.4 tt -94.05 -40.13 10.24 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.385 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 97' ' ' ARG . . . . . 0.459 HH11 ' CG ' ' R' ' 97' ' ' ARG . 4.0 mtp85 -54.11 -19.09 4.41 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.314 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' R' ' 96' ' ' LEU . 1.1 mm100 -47.0 -53.36 12.58 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.551 ' HB2' HD23 ' S' ' 34' ' ' LEU . 35.3 t90 -95.99 -53.98 3.48 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.103 -1.039 . . . . 0.0 112.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.42 -53.99 2.53 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -50.76 -22.47 2.14 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.373 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.99 -27.52 17.78 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.433 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.404 ' H ' HG12 ' R' ' 103' ' ' VAL . 0.8 OUTLIER -92.47 -42.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 118.488 -1.285 . . . . 0.0 112.996 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' R' ' 62' ' ' LEU . 4.8 mt -81.18 -51.07 8.83 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.518 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' R' ' 105' ' ' LEU . 0.2 OUTLIER -67.18 -4.82 11.33 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.471 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 48.1 -155.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.304 -1.391 0 CA-C-O 116.266 -1.826 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.49 163.31 0.32 Allowed Pre-proline 0 C--N 1.305 -1.361 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -58.65 -68.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.324 1.349 . . . . 0.0 111.333 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 7' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' S' ' 8' ' ' SER . 0.1 OUTLIER -90.13 -49.99 6.26 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.688 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 8' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' S' ' 7' ' ' TYR . 0.1 OUTLIER 169.2 149.78 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.329 -0.948 . . . . 0.0 111.167 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.84 -55.96 2.45 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.39 -128.69 0.1 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.472 -0.891 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 3.4 tpt -145.59 74.49 1.39 Allowed 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.474 -0.891 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' S' ' 13' ' ' GLU . . . -63.3 106.48 0.9 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.593 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 13' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' S' ' 12' ' ' ALA . 27.4 mt-10 -52.33 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 46.98 48.08 15.52 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 15' ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' S' ' 16' ' ' HIS . 2.4 tpp180 -138.32 -159.26 0.94 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' S' ' 15' ' ' ARG . 1.4 m-70 45.15 53.17 8.07 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -114.19 -45.45 3.05 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.77 -19.45 27.51 Favored 'General case' 0 C--N 1.307 -1.283 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -63.06 -23.08 67.28 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.9 -60.71 1.6 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.942 -0.703 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm-85 -58.07 -41.88 84.35 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.505 ' CD1' HG13 ' R' ' 55' ' ' VAL . 0.3 OUTLIER -83.93 -44.34 14.34 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.429 -1.309 . . . . 0.0 112.677 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.15 -30.93 30.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 118.151 -1.42 . . . . 0.0 109.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.1 -22.24 62.53 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.304 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.26 -36.66 26.9 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.435 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.16 -43.17 70.39 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.065 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -22.75 66.78 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -57.99 5.94 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 118.561 -1.255 . . . . 0.0 110.207 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.449 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -51.87 -44.61 63.77 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.408 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.724 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -45.18 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 118.679 -1.209 . . . . 0.0 110.602 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.521 ' C ' ' H ' ' S' ' 33' ' ' ASP . 7.7 mt-30 -16.02 -70.87 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 125.354 1.658 . . . . 0.0 112.954 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 10.2 m-20 -75.63 36.16 0.13 Allowed 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.152 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.724 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 30.06 30.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.214 0.946 . . . . 0.0 111.622 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.3 OUTLIER -96.28 15.42 21.16 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.83 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.545 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 16.2 p-80 -94.05 -10.84 32.16 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.882 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.471 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.0 mt -57.04 -44.85 99.94 Favored Pre-proline 0 C--N 1.296 -1.727 0 C-N-CA 117.538 -1.665 . . . . 0.0 113.094 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 2.2 Cg_endo -66.53 -58.68 0.15 Allowed 'Trans proline' 0 C--N 1.32 -0.926 0 C-N-CA 120.373 0.716 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.579 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.5 pp -60.23 -42.51 95.39 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.545 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.44 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 16.1 tp -48.73 -44.4 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 118.145 -1.422 . . . . 0.0 107.275 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.58 -33.95 34.85 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.03 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.65 -22.62 64.39 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mtm -104.03 -3.74 24.2 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.951 -0.7 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.7 OUTLIER -42.12 -66.75 0.32 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.022 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.473 ' O ' ' O ' ' S' ' 43' ' ' LEU . 7.3 m 56.37 119.65 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 123.646 0.591 . . . . 0.0 110.065 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -52.79 -60.51 0.7 Allowed 'Trans proline' 0 C--O 1.214 -0.681 0 C-N-CA 120.731 0.954 . . . . 0.0 113.026 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -42.3 -36.97 1.38 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.666 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.469 ' OE2' ' NH2' ' R' ' 54' ' ' ARG . 4.4 mm-40 -81.07 -38.13 27.86 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.389 -0.925 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -48.39 -54.4 14.15 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.967 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -63.26 -10.18 14.72 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.073 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -39.83 11.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.16 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -51.5 -55.69 17.5 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 118.781 -1.167 . . . . 0.0 111.59 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.36 -51.82 53.75 Favored Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -51.61 -58.36 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.918 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -53.5 -47.37 69.93 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -44.98 -35.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.646 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -45.06 89.26 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.429 -0.908 . . . . 0.0 113.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.57 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.3 pt -54.11 -56.51 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 118.349 -1.34 . . . . 0.0 112.209 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.57 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 0.7 OUTLIER -50.19 -43.33 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 118.268 -1.373 . . . . 0.0 110.687 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' S' ' 58' ' ' VAL . 52.0 mt-10 -71.87 -79.62 0.07 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.81 -1.156 . . . . 0.0 111.445 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -34.7 -37.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.687 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.6 OUTLIER -73.84 -40.33 63.36 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.231 -1.387 . . . . 0.0 112.177 -179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 62' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' S' ' 64' ' ' GLY . 6.1 tt -77.87 -49.02 15.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 118.499 -1.281 . . . . 0.0 111.949 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.25 22.4 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.795 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -60.19 -21.83 57.21 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.54 -1.315 . . . . 0.0 111.217 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -82.17 -49.03 10.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 36.3 mtt -65.31 -55.7 16.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 2.3 p -43.46 151.93 0.16 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.07 -73.85 0.42 Allowed 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 119.564 -0.854 . . . . 0.0 112.58 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 69' ' ' ARG . . . . . 0.523 ' C ' ' H ' ' S' ' 71' ' ' LEU . 9.3 ttp180 -130.11 -9.23 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.744 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 70' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' S' ' 71' ' ' LEU . 0.9 OUTLIER -55.03 -1.36 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.37 -0.932 . . . . 0.0 111.782 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 71' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' S' ' 69' ' ' ARG . 10.5 mt -50.9 -178.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.251 -0.979 . . . . 0.0 110.671 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.07 75.4 0.08 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.561 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 73' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' S' ' 71' ' ' LEU . 0.2 OUTLIER -80.6 -85.74 0.09 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.175 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.14 48.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.653 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' S' ' 75' ' ' LEU . 0.2 OUTLIER -62.83 -54.16 43.15 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.827 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.9 -34.18 0.57 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.463 -1.351 . . . . 0.0 109.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.62 170.06 16.55 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.8 -43.77 2.73 Favored Glycine 0 N--CA 1.487 2.083 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.46 ' O ' HG22 ' S' ' 83' ' ' THR . 56.3 mt -67.93 -34.43 67.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -10.39 4.9 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 45.9 m -105.21 -32.8 8.47 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.17 -23.47 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.547 HG23 ' O ' ' S' ' 83' ' ' THR . 14.8 t -109.53 34.01 4.03 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.128 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -36.75 -45.98 0.57 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.579 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.88 -82.69 0.31 Allowed Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.795 -1.193 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 6.3 t -41.88 123.62 2.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.973 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.03 -65.71 0.5 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -164.77 158.8 17.93 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp -56.08 -78.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.521 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -76.16 -95.41 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -174.9 61.69 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.471 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . -145.49 61.87 8.12 Favored Pre-proline 0 N--CA 1.488 1.452 0 C-N-CA 118.773 -1.171 . . . . 0.0 112.618 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' S' ' 92' ' ' ALA . 14.0 Cg_endo -79.85 -40.74 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.083 0 C-N-CA 121.859 1.706 . . . . 0.0 111.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.01 -23.57 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.291 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.71 -6.51 8.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' S' ' 98' ' ' GLN . 13.9 tp -87.19 -60.5 1.96 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.445 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 97' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' S' ' 96' ' ' LEU . 7.6 mtt-85 -40.57 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.657 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 98' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' S' ' 96' ' ' LEU . 61.4 mm-40 -57.71 -57.47 12.61 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -79.43 -56.04 4.62 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.785 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.427 HD13 HD11 ' S' ' 96' ' ' LEU . 4.2 tp -38.93 -29.36 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.353 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.29 -33.05 75.06 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.569 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.821 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -92.87 -27.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -113.65 -50.91 2.82 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 118.997 -1.081 . . . . 0.0 113.714 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.33 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.392 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.28 9.95 0.58 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 116.314 -1.803 . . . . 0.0 110.682 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.98 155.15 49.93 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -65.16 96.18 0.27 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 120.976 1.117 . . . . 0.0 111.392 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -84.77 126.39 33.38 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.947 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 25.4 m 50.42 -131.46 1.97 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.781 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.86 29.07 0.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.277 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.31 -163.97 0.5 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 1.1 mmt -79.87 125.36 29.61 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.259 -0.977 . . . . 0.0 110.485 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.54 25.27 0.52 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.095 -1.042 . . . . 0.0 111.586 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.82 -16.41 64.26 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.556 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.84 27.92 9.21 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.649 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 15' ' ' ARG . . . . . 0.663 ' HE ' ' NH2' ' S' ' 48' ' ' ARG . 0.5 OUTLIER -140.74 177.29 8.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.546 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 64.47 39.75 6.7 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -125.15 -78.42 0.6 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.8 OUTLIER -67.44 -37.03 82.37 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.538 -0.865 . . . . 0.0 111.486 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -41.94 -23.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.598 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' R' ' 18' ' ' GLU . 13.3 mt -90.66 -47.52 7.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.076 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -56.87 -30.64 64.04 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.284 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' R' ' 24' ' ' ASP . 9.8 t80 -69.61 -75.2 0.12 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.477 -1.289 . . . . 0.0 110.605 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 22' ' ' PHE . 16.4 m -38.67 -29.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.663 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 24' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' R' ' 22' ' ' PHE . 6.2 t70 -66.25 -59.19 3.97 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.299 -0.961 . . . . 0.0 109.734 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.04 -42.54 76.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.76 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.812 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -49.65 -15.07 0.14 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.859 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 28' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' R' ' 24' ' ' ASP . 8.0 m-20 -77.4 -55.42 5.41 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.599 -1.241 . . . . 0.0 109.775 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.88 -39.52 39.8 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.627 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.4 m-85 -50.38 -65.15 0.61 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 117.599 -1.64 . . . . 0.0 109.509 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' R' ' 30' ' ' TYR . 3.7 tp-100 7.28 -70.4 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 126.777 2.548 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' R' ' 30' ' ' TYR . 5.1 t-20 -86.52 -96.04 0.08 Allowed 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 117.921 -1.511 . . . . 0.0 107.742 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 58.5 m-20 -150.83 24.56 0.76 Allowed 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.03 10.17 25.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 117.683 -1.607 . . . . 0.0 113.846 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.8 p-80 -57.02 -56.59 19.8 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 117.675 -1.61 . . . . 0.0 110.86 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 4.4 mt -32.11 -64.83 0.22 Allowed Pre-proline 0 N--CA 1.504 2.27 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 3.9 Cg_exo -46.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.851 1.034 . . . . 0.0 113.163 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.755 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -58.85 -41.6 87.35 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.911 -1.516 . . . . 0.0 109.882 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.446 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.0 tp -47.72 -32.24 5.6 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.322 -1.351 . . . . 0.0 108.668 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -88.34 -27.76 21.45 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.234 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -45.35 -52.91 9.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 50.62 1.33 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.903 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.526 ' C ' HG23 ' R' ' 44' ' ' THR . 1.5 mt -59.09 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.59 HG22 ' NH1' ' S' ' 84' ' ' ARG . 1.7 p 56.2 152.78 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.511 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.14 -29.34 86.87 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 C-N-CA 120.769 0.979 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.16 -47.45 68.77 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.51 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.3 -47.12 45.32 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -49.6 -24.37 2.14 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -100.05 -49.24 4.37 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.046 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.64 68.11 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.628 HD13 ' C ' ' R' ' 51' ' ' LEU . 3.1 tm? -66.55 -72.71 0.15 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.04 -36.96 5.39 Favored Glycine 0 N--CA 1.483 1.777 0 C-N-CA 119.214 -1.469 . . . . 0.0 109.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -73.03 -39.52 65.9 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -58.89 -24.96 62.91 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.629 HG13 ' CG ' ' S' ' 22' ' ' PHE . 43.5 t -87.01 -25.99 6.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.444 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -57.01 10.39 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.763 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.5 OUTLIER -49.61 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.81 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.601 HG13 HD21 ' R' ' 100' ' ' LEU . 49.9 t -34.86 -60.13 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.769 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -44.36 -39.65 4.79 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 60' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' R' ' 57' ' ' ILE . 4.3 mt-10 -76.96 -48.55 17.75 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.24 -21.88 0.57 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.568 HD13 HD23 ' R' ' 104' ' ' LEU . 13.7 tp -44.1 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.356 -0.937 . . . . 0.0 110.384 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -71.75 11.56 0.49 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.472 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 64' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -64.3 -13.75 55.02 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 65' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' R' ' 65' ' ' GLU . 0.2 OUTLIER -52.26 -49.66 63.63 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.116 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 4.9 mmt -53.99 -23.63 13.96 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.412 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t 44.16 51.69 7.24 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.574 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -65.87 -67.56 0.43 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.746 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -129.06 -27.09 2.53 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.412 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.04 16.89 6.25 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.251 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.05 112.63 17.38 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.393 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 44.98 88.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.19 -1.004 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.77 11.87 29.7 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 74' ' ' GLU . . . . . 0.432 ' CG ' ' H ' ' R' ' 75' ' ' LEU . 0.8 OUTLIER -168.64 -95.51 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.717 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 75' ' ' LEU . . . . . 0.432 ' H ' ' CG ' ' R' ' 74' ' ' GLU . 4.0 mt -90.88 -52.75 4.7 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.11 61.39 3.74 Favored Glycine 0 N--CA 1.492 2.409 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.2 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.45 38.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.417 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 84.51 0.21 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' R' ' 79' ' ' ILE . 10.8 tp -60.95 -12.54 5.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.26 6.82 4.94 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 33.6 p -121.3 -36.95 3.0 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.414 HG21 HD13 ' R' ' 82' ' ' ILE . 3.3 mt -80.54 -39.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -97.4 20.8 11.03 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.777 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.48 72.7 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.61 106.14 0.01 OUTLIER Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.697 -1.239 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -72.17 -171.95 0.82 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.385 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 87' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.1 OUTLIER -50.46 -47.99 56.7 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.872 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 88' ' ' SER . . . . . 0.424 ' O ' ' O ' ' R' ' 87' ' ' ASN . 7.4 t 43.77 95.39 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.289 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.52 -55.8 1.41 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.58 -61.84 1.35 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.406 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.79 80.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.499 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 92' ' ' ALA . . . . . 0.606 ' N ' ' CD ' ' R' ' 93' ' ' PRO . . . -106.34 -38.24 0.17 Allowed Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' R' ' 92' ' ' ALA . 5.9 Cg_exo -64.79 -42.66 14.56 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.262 1.308 . . . . 0.0 112.742 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 94' ' ' VAL . . . . . 0.497 ' O ' HG12 ' R' ' 94' ' ' VAL . 44.3 t -58.06 -7.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.43 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.08 3.9 36.61 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.587 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.94 -49.54 4.74 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -48.62 -24.64 1.41 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.426 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -55.44 -63.83 1.04 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.299 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.849 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 31.2 t90 -72.51 -60.96 1.98 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.251 -1.38 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.601 HD21 HG13 ' R' ' 58' ' ' VAL . 0.1 OUTLIER -33.49 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.476 -1.238 . . . . 0.0 113.167 -179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.03 -43.99 73.63 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.723 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.91 -42.96 76.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.418 ' H ' HG12 ' R' ' 103' ' ' VAL . 2.2 p -72.65 -34.56 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.568 HD23 HD13 ' R' ' 62' ' ' LEU . 0.9 OUTLIER -97.12 -0.76 46.48 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.867 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.2 -36.95 9.44 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.31 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -69.32 154.8 41.46 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.722 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 116.43 -1.747 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -159.17 71.72 3.48 Favored Pre-proline 0 N--CA 1.492 1.634 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.991 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -77.02 108.18 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.013 1.808 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -121.47 177.28 5.27 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.8 p -131.76 174.72 9.85 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.673 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.19 -9.76 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.32 104.34 2.76 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -69.83 -40.03 76.09 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.9 171.13 1.29 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -92.11 131.59 37.25 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -155.11 64.25 0.64 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.634 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -153.83 7.94 0.36 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.689 -1.205 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER -134.7 -8.18 2.45 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.339 -0.945 . . . . 0.0 111.328 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.63 -33.64 64.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.947 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.55 -25.09 16.98 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.813 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -46.46 -30.02 2.0 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.21 -27.02 6.99 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -51.14 34.12 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.723 -1.191 . . . . 0.0 111.142 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.629 ' CG ' HG13 ' R' ' 55' ' ' VAL . 3.3 m-85 -78.08 -42.22 32.83 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.539 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 37.3 t -54.1 -34.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 118.889 -1.125 . . . . 0.0 109.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.67 -30.14 69.73 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 118.803 -1.159 . . . . 0.0 109.4 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.42 -23.82 46.47 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.77 -33.59 75.49 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 117.842 -1.543 . . . . 0.0 107.824 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -22.34 59.31 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.962 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 28' ' ' ASN . . . . . 0.483 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 6.7 m-80 -71.83 -37.08 70.36 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.246 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.849 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -73.0 -44.69 60.74 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 4.3 m-85 -45.82 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.75 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.4 tt0 -14.2 -65.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.556 1.785 . . . . 0.0 113.02 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.587 ' O ' ' N ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER -76.41 35.03 0.14 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.119 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 6.1 t0 31.23 28.61 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.533 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.7 mp -95.69 15.37 20.23 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 15.1 p-80 -88.57 -28.61 20.61 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.692 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.4 mt -36.92 -55.53 1.58 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.371 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -58.33 -66.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.317 -1.095 0 CA-C-N 118.699 0.571 . . . . 0.0 111.193 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.719 ' O ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -49.91 -32.18 14.03 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -61.58 -68.08 0.35 Allowed 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.703 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.59 -30.27 0.88 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 41' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' S' ' 41' ' ' LEU . 15.9 tp -44.42 -41.37 6.17 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.716 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -123.97 64.86 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.4 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.7 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.0 OUTLIER -86.9 -46.53 9.81 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.405 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.576 ' O ' ' O ' ' S' ' 43' ' ' LEU . 3.5 p 43.74 126.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.224 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -58.14 -25.94 73.68 Favored 'Trans proline' 0 C--O 1.219 -0.46 0 CA-C-N 118.852 0.626 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.9 -51.39 68.34 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' S' ' 46' ' ' ASP . 18.7 mt-10 -69.63 -23.63 63.53 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.493 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 48' ' ' ARG . . . . . 0.663 ' NH2' ' HE ' ' R' ' 15' ' ' ARG . 13.7 ttt85 -59.32 -49.21 78.68 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.783 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.25 -18.56 49.72 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 -10.26 25.59 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.614 -0.835 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' HD13 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -63.78 -77.47 0.05 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.928 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 52' ' ' GLY . . . . . 0.4 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -47.51 -42.69 19.84 Favored Glycine 0 N--CA 1.481 1.648 0 C-N-CA 118.678 -1.725 . . . . 0.0 109.278 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -56.41 -32.77 65.15 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.449 ' NE ' ' CZ ' ' R' ' 22' ' ' PHE . 12.2 ttp180 -67.94 -25.49 65.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.4 HG12 ' O ' ' S' ' 52' ' ' GLY . 0.3 OUTLIER -77.19 -27.99 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.373 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' S' ' 57' ' ' ILE . 1.6 mtm180 -68.45 -55.42 11.91 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' S' ' 56' ' ' ARG . 0.4 OUTLIER -40.99 -77.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.579 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.24 -61.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.55 -72.43 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.454 -0.898 . . . . 0.0 112.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -51.06 -35.92 37.21 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.57 -37.3 70.38 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 62' ' ' LEU . . . . . 0.421 HD23 ' O ' ' S' ' 62' ' ' LEU . 1.2 tt -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.261 -0.975 . . . . 0.0 112.09 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 2.11 0.67 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.889 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -90.57 25.66 12.61 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.321 -1.419 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -79.5 19.96 0.59 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.501 -0.88 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -15.62 61.03 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t 176.4 148.33 0.11 Allowed 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -84.26 -65.55 1.0 Allowed 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.736 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 69' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' S' ' 71' ' ' LEU . 36.3 mtt180 -58.01 -45.71 86.43 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.595 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -77.07 24.03 0.17 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.994 -1.083 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 71' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' S' ' 69' ' ' ARG . 21.2 tp -93.89 133.57 37.17 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.525 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 72' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' S' ' 71' ' ' LEU . 44.5 tttt 70.21 8.02 6.47 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.795 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -90.97 -78.88 0.38 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.11 66.9 0.11 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.4 -42.83 5.85 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.7 66.15 0.9 Allowed Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.37 24.77 1.4 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.659 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.28 61.27 0.08 OUTLIER Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pt -94.74 25.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.82 -92.07 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 16.2 p -125.67 -7.41 6.8 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.572 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 pp -64.16 -2.14 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 5.6 t -91.63 18.32 7.64 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.59 ' NH1' HG22 ' R' ' 44' ' ' THR . 9.3 tmm_? -59.28 -65.85 0.6 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 85' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' S' ' 84' ' ' ARG . . . 45.71 -171.22 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.471 -1.347 . . . . 0.0 110.679 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 86' ' ' SER . . . . . 0.548 ' O ' ' ND2' ' S' ' 87' ' ' ASN . 0.9 OUTLIER -166.47 -51.36 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.434 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 87' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' S' ' 86' ' ' SER . 0.4 OUTLIER -179.54 164.08 1.26 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.248 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.8 146.24 0.32 Allowed 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.05 -72.77 0.18 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -117.57 -18.66 9.68 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.555 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.29 96.57 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.731 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.1 77.23 71.64 Favored Pre-proline 0 N--CA 1.493 1.714 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.749 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.466 ' C ' ' N ' ' S' ' 95' ' ' GLU . 10.8 Cg_endo -78.38 4.3 6.42 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.813 1.675 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 94' ' ' VAL . . . . . 0.437 HG23 ' H ' ' S' ' 94' ' ' VAL . 2.7 t -46.04 -19.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.032 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 95' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' S' ' 93' ' ' PRO . 2.5 mt-10 -76.27 -35.87 58.71 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.528 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' S' ' 93' ' ' PRO . 0.9 OUTLIER -66.52 -42.88 86.59 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.522 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -50.35 -25.89 4.32 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.551 -0.86 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -59.82 -63.8 1.17 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.557 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.1 t90 -66.57 -64.94 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.339 -1.345 . . . . 0.0 109.965 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -23.47 -54.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.56 1.163 . . . . 0.0 112.326 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.57 -45.82 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.821 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' S' ' 99' ' ' TRP . 35.5 mm-40 -73.1 -12.25 60.83 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.71 -36.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 118.75 -1.18 . . . . 0.0 113.511 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.8 mt -104.77 -82.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.183 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -43.71 -61.19 1.49 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.437 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm 51.45 82.66 0.06 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.109 -1.037 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.305 -1.367 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.92 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.57 164.87 32.07 Favored Pre-proline 0 N--CA 1.487 1.418 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -56.12 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.321 1.347 . . . . 0.0 111.28 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.82 -67.99 0.7 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.452 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.91 108.19 2.61 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.056 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 126.89 20.06 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.51 -81.29 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.271 -0.971 . . . . 0.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtp -144.73 167.03 23.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.496 -0.882 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.7 66.12 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.389 -0.925 . . . . 0.0 110.798 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 95.2 7.13 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -126.26 175.66 7.65 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 15' ' ' ARG . . . . . 0.501 ' NH1' ' OE2' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -55.06 179.97 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.206 -0.998 . . . . 0.0 110.455 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 16' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' R' ' 15' ' ' ARG . 2.1 t-80 73.66 -42.92 0.53 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -50.49 -19.58 0.91 Allowed 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.555 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.577 ' CD ' HG11 ' S' ' 55' ' ' VAL . 2.0 tt0 -93.01 -28.88 16.13 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.381 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.504 ' O ' HG21 ' R' ' 23' ' ' VAL . 75.6 t-105 -61.51 -5.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.732 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -118.78 -48.13 2.48 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -53.7 55.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.72 -38.03 55.01 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.988 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.504 HG21 ' O ' ' R' ' 19' ' ' TRP . 38.5 t -56.89 -26.39 24.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.551 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.84 -14.34 62.37 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.103 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.04 -39.93 11.36 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -47.07 -31.42 3.36 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -72.94 -44.76 60.78 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.983 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.8 -44.23 28.49 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.005 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -67.71 -59.68 3.14 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.712 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -36.96 -67.32 0.18 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.7 tt0 8.95 -67.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 126.929 2.643 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.712 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.5 t-20 -98.16 -90.48 0.28 Allowed 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.492 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 55.9 m-20 -153.66 25.44 0.51 Allowed 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.473 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 3.2 mt -88.51 18.01 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -100.12 -27.72 13.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.041 -1.063 . . . . 0.0 110.693 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.411 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 1.1 mt -51.25 -48.98 84.3 Favored Pre-proline 0 N--CA 1.488 1.434 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 6.2 Cg_endo -68.06 -58.64 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 120.013 0.475 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.753 ' O ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -55.78 -33.37 64.29 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.121 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.3 tp -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.42 -1.312 . . . . 0.0 108.367 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -74.4 -20.31 60.1 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.503 ' O ' ' NH1' ' S' ' 84' ' ' ARG . 61.7 tp -47.39 -57.12 5.66 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.182 -1.007 . . . . 0.0 109.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.437 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -107.23 51.48 0.74 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.871 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.3 OUTLIER -73.02 8.3 1.65 Allowed 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.763 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.448 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 1.0 OUTLIER -42.34 154.3 0.28 Allowed Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.842 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.48 -19.09 27.76 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 121.182 1.255 . . . . 0.0 111.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.59 63.7 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.761 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' R' ' 44' ' ' THR . 17.0 mp0 -82.47 -37.6 25.13 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -48.06 -52.73 18.96 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -48.98 -22.77 0.93 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.677 -0.809 . . . . 0.0 111.299 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 50' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -99.4 -63.92 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.563 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.511 HD13 ' C ' ' R' ' 51' ' ' LEU . 0.7 OUTLIER -30.53 -71.41 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 123.686 0.616 . . . . 0.0 111.815 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.76 -59.12 7.62 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.508 -1.33 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 15.23 1.22 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.421 -0.911 . . . . 0.0 112.253 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 54' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' R' ' 50' ' ' ALA . 15.8 ttt180 -106.81 -37.4 6.39 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -29.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.581 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -56.27 -48.04 77.39 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.846 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.507 HG22 HG23 ' R' ' 82' ' ' ILE . 0.3 OUTLIER -50.9 -75.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.569 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' R' ' 57' ' ' ILE . 96.4 t -28.17 -50.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 124.338 1.024 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 59' ' ' GLU . . . . . 0.4 ' CG ' ' CE1' ' S' ' 22' ' ' PHE . 1.6 mm-40 -61.06 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.49 -48.29 2.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.463 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.84 -58.16 3.29 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' R' ' 64' ' ' GLY . 0.2 OUTLIER -68.64 -44.12 74.85 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.001 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.39 19.34 0.13 Allowed 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 64' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' R' ' 66' ' ' MET . . . -107.39 -56.88 0.6 Allowed Glycine 0 N--CA 1.496 2.692 0 C-N-CA 119.753 -1.213 . . . . 0.0 111.509 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -2.33 0.4 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.054 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 66' ' ' MET . . . . . 0.451 ' H ' ' C ' ' R' ' 64' ' ' GLY . 2.2 tpt -71.01 -17.78 62.62 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.17 -150.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.191 -1.004 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -68.62 -74.26 0.13 Allowed 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -127.98 -87.26 0.56 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.452 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 40.95 47.63 2.65 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.81 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.38 9.69 42.29 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.215 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -139.71 46.64 1.87 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.28 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -68.72 -38.19 80.04 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.44 -83.9 0.16 Allowed 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.254 -0.979 . . . . 0.0 111.538 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.08 -77.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.747 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 -49.34 0.93 Allowed Glycine 0 N--CA 1.497 2.726 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.593 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.4 169.59 17.01 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 78' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' R' ' 80' ' ' ALA . . . 84.95 16.24 65.69 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.582 -1.294 . . . . 0.0 110.677 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.42 ' C ' ' H ' ' R' ' 81' ' ' THR . 9.5 tt -50.28 -8.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.879 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 80' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' R' ' 78' ' ' GLY . . . -59.27 -3.95 0.48 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.352 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 81' ' ' THR . . . . . 0.42 ' H ' ' C ' ' R' ' 79' ' ' ILE . 70.0 p -99.71 -36.72 9.38 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.507 HG23 HG22 ' R' ' 57' ' ' ILE . 3.7 mt -76.38 -48.98 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.634 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 83' ' ' THR . . . . . 0.423 HG23 ' O ' ' R' ' 83' ' ' THR . 15.2 t -91.83 25.61 2.7 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.227 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 84' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' R' ' 85' ' ' GLY . 8.5 ttp180 -51.0 -98.11 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.092 -1.043 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' R' ' 84' ' ' ARG . . . 74.41 45.07 25.42 Favored Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.58 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -56.03 4.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.93 156.98 3.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 88' ' ' SER . . . . . 0.523 ' C ' ' H ' ' R' ' 90' ' ' LYS . 0.1 OUTLIER -84.82 -162.26 0.67 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.726 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.65 -4.45 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.498 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 90' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' R' ' 88' ' ' SER . 23.0 mttm -49.98 -67.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.366 -0.934 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.81 -29.21 18.24 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.26 71.72 1.47 Allowed Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -63.08 -15.57 48.83 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.589 1.526 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 94' ' ' VAL . . . . . 0.431 ' H ' HG23 ' R' ' 94' ' ' VAL . 4.1 t -62.07 -14.68 12.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.592 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.63 -7.91 59.07 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.247 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -41.6 14.86 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.69 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -51.56 -25.62 7.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.9 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -48.05 -64.85 0.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 32.4 t90 -76.39 -57.29 3.95 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.95 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.22 -29.96 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.654 -1.157 . . . . 0.0 113.009 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.05 -31.68 61.35 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.476 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' R' ' 99' ' ' TRP . 48.0 mt-10 -82.33 -17.78 44.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.671 HG13 ' N ' ' R' ' 104' ' ' LEU . 10.8 p -97.83 -49.43 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.671 ' N ' HG13 ' R' ' 103' ' ' VAL . 5.1 mt -90.74 -29.94 17.35 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.425 -1.31 . . . . 0.0 112.904 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER -79.56 27.71 0.27 Allowed 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.673 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 106' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' R' ' 104' ' ' LEU . 5.9 ptmm? -73.02 155.27 39.99 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 116.349 -1.786 . . . . 0.0 110.67 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -141.02 67.67 27.36 Favored Pre-proline 0 N--CA 1.486 1.347 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.317 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -63.32 155.12 63.85 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.473 1.449 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -53.81 -78.2 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -148.49 147.96 29.69 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.26 126.44 12.17 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.536 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.73 94.61 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.354 -0.939 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 11' ' ' MET . . . . . 0.425 ' C ' ' SD ' ' S' ' 11' ' ' MET . 0.0 OUTLIER -157.33 30.86 0.28 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' S' ' 13' ' ' GLU . . . -161.87 -6.49 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 13' ' ' GLU . . . . . 0.408 ' H ' ' H ' ' S' ' 12' ' ' ALA . 4.1 pt-20 -170.82 129.47 0.79 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -81.03 -115.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -135.2 100.78 4.64 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.702 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.479 ' C ' ' H ' ' S' ' 18' ' ' GLU . 0.4 OUTLIER -153.25 7.46 0.39 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.913 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.23 23.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' S' ' 16' ' ' HIS . 4.6 pt-20 -156.53 -42.09 0.07 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.708 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.401 ' CZ3' ' HG ' ' R' ' 51' ' ' LEU . 66.7 t-105 -48.09 -19.1 0.24 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.207 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' S' ' 18' ' ' GLU . 26.1 mt -125.07 -60.88 1.33 Allowed 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -38.9 0.37 Allowed 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.461 -1.245 . . . . 0.0 113.491 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' S' ' 23' ' ' VAL . 24.0 m-85 -113.87 -35.7 5.04 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.719 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' S' ' 22' ' ' PHE . 2.7 t -47.52 -27.96 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 118.185 -1.406 . . . . 0.0 108.607 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.94 87.23 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.251 -0.98 . . . . 0.0 108.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' S' ' 22' ' ' PHE . 16.9 mt -65.35 -28.93 69.64 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.533 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -54.82 -44.36 73.78 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.028 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.93 -62.17 1.98 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.676 -1.21 . . . . 0.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.433 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -46.64 -49.09 19.66 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.331 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.783 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.7 m-85 -49.87 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' S' ' 30' ' ' TYR . 53.6 tt0 -13.62 -68.48 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 125.4 1.688 . . . . 0.0 112.244 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 58.5 m-20 -78.07 36.96 0.24 Allowed 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.783 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 31.89 27.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.878 0.736 . . . . 0.0 111.746 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.5 tp -96.55 13.44 28.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' S' ' 36' ' ' LEU . 2.5 p-80 -81.07 -27.7 35.59 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 118.337 -1.345 . . . . 0.0 111.332 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.7 mm? -34.69 -57.04 0.79 Allowed Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.829 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 13.2 Cg_exo -49.63 -70.52 0.06 OUTLIER 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 120.636 0.891 . . . . 0.0 112.736 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.585 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.7 pp -57.95 -40.02 79.5 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.437 ' N ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.78 -61.78 2.04 Favored 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 118.059 -1.456 . . . . 0.0 108.063 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.49 -37.22 0.67 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.836 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 41' ' ' LEU . . . . . 0.448 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -46.36 -42.14 14.5 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.57 -1.252 . . . . 0.0 109.844 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.96 33.41 3.05 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.666 -0.814 . . . . 0.0 112.891 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 3.99 1.86 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.235 -0.986 . . . . 0.0 111.758 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 44' ' ' THR . . . . . . . . . . . . . 47.3 p -45.55 148.62 1.2 Allowed Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.89 -21.51 20.96 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.916 1.078 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.39 -19.33 65.9 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.734 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 -43.64 4.08 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.779 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -53.17 -51.3 62.48 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 49' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' R' ' 15' ' ' ARG . 44.3 mm-40 -68.86 -38.51 79.78 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.365 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.28 77.95 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.646 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 5.4 tt -55.98 -53.16 60.24 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.179 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.17 -39.15 2.92 Favored Glycine 0 N--CA 1.492 2.419 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -71.84 -52.37 17.8 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.422 ' NH2' HD12 ' R' ' 39' ' ' LEU . 13.7 ttm180 -48.49 -27.39 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.262 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.577 HG11 ' CD ' ' R' ' 18' ' ' GLU . 58.6 t -79.01 -47.7 22.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.766 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -50.48 -64.68 0.73 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.466 HG23 ' H ' ' S' ' 58' ' ' VAL . 1.0 OUTLIER -46.02 -56.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 C-N-CA 119.212 -0.995 . . . . 0.0 112.9 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.499 HG13 HD11 ' S' ' 100' ' ' LEU . 99.7 t -49.43 -64.55 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 118.487 -1.285 . . . . 0.0 110.728 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.94 -58.38 7.86 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.73 -62.52 1.59 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.711 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.4 OUTLIER -46.21 -36.66 6.27 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.366 -0.933 . . . . 0.0 112.064 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.16 -57.81 3.54 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 118.402 -1.319 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -8.14 2.16 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' S' ' 66' ' ' MET . . . -89.98 24.91 13.35 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 119.406 -1.378 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.74 13.88 0.24 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.375 -0.93 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 66' ' ' MET . . . . . 0.474 ' H ' ' C ' ' S' ' 64' ' ' GLY . 29.9 mtt -105.24 -66.56 0.97 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -133.19 85.01 2.18 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -55.82 -34.77 65.66 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -77.09 22.51 0.2 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.413 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.11 -62.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.89 51.79 0.98 Allowed 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -170.81 -34.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.409 -0.916 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -96.83 -35.1 11.05 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -95.7 -99.51 0.17 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.97 -85.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.71 15.57 27.0 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.396 -1.383 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . 46.42 55.94 6.91 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.352 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.14 79.44 1.42 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.617 HG23 ' N ' ' S' ' 80' ' ' ALA . 8.6 tp -40.14 -43.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 80' ' ' ALA . . . . . 0.617 ' N ' HG23 ' S' ' 79' ' ' ILE . . . 41.12 -126.89 0.51 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 81' ' ' THR . . . . . 0.425 ' C ' ' H ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -127.13 24.53 6.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.742 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.41 HD13 HG21 ' S' ' 82' ' ' ILE . 11.0 pt -66.91 4.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.828 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.425 ' H ' ' C ' ' S' ' 81' ' ' THR . 0.7 OUTLIER -100.97 15.99 26.78 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.7 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' R' ' 41' ' ' LEU . 29.6 ttt180 -48.09 -70.83 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 118.666 -1.213 . . . . 0.0 109.892 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.55 152.72 47.47 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.474 -1.346 . . . . 0.0 110.159 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.06 -69.21 0.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.296 -0.962 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.25 12.22 2.81 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.703 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.31 135.39 50.49 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.23 -6.98 57.87 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.748 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -65.47 -8.95 21.77 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.735 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.63 -34.24 15.52 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.478 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.52 142.19 38.37 Favored Pre-proline 0 N--CA 1.486 1.352 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.1 -166.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 120.955 1.104 . . . . 0.0 111.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.82 -26.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.39 -2.62 23.03 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.421 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.83 -56.37 4.74 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.304 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.42 -35.05 26.78 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.189 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.82 -53.19 60.37 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' R' ' 29' ' ' ALA . 32.0 t90 -67.97 -55.72 11.68 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.161 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.499 HD11 HG13 ' S' ' 58' ' ' VAL . 2.9 tp -42.33 -32.08 0.47 Allowed 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.741 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.54 -23.12 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.556 -0.858 . . . . 0.0 112.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.0 -26.35 20.38 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.47 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.5 p -89.86 -43.65 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 C-N-CA 118.643 -1.223 . . . . 0.0 113.544 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' S' ' 105' ' ' LEU . 96.4 mt -93.71 -67.11 0.87 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.018 -1.073 . . . . 0.0 112.153 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 105' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' S' ' 104' ' ' LEU . 0.2 OUTLIER -39.74 -58.64 1.3 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.595 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -67.47 107.7 2.55 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.303 -1.453 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.736 -179.877 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.68 164.89 14.57 Favored Pre-proline 0 C--N 1.304 -1.373 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.178 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.96 96.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.116 1.211 . . . . 0.0 110.787 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.94 -73.48 0.54 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 8' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' R' ' 9' ' ' ALA . 97.1 p -175.32 -48.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 9' ' ' ALA . . . . . 0.413 ' N ' ' OG ' ' R' ' 8' ' ' SER . . . -46.85 166.88 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.72 -7.72 0.23 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.551 -0.859 . . . . 0.0 110.737 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 12.5 mtt -95.42 121.6 37.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.04 -0.26 57.7 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.189 -1.005 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.29 105.2 15.79 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.533 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.44 -5.97 27.22 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 63.54 21.14 12.61 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.75 22.35 0.33 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.648 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.61 1.77 25.47 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' R' ' 20' ' ' LEU . 23.7 mm-40 -113.79 -41.13 3.63 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.06 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.504 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 42.6 t-105 -44.73 -10.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.426 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' R' ' 18' ' ' GLU . 20.1 mt -113.56 -73.55 0.66 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.678 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -37.57 -49.32 1.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.46 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.37 -49.42 19.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.708 HG22 HD21 ' S' ' 51' ' ' LEU . 98.7 t -54.38 -22.81 9.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.69 -36.25 75.8 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.38 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.43 -22.86 62.67 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.366 -0.933 . . . . 0.0 109.307 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tp -57.63 -50.44 73.15 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.73 -1.188 . . . . 0.0 110.33 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -20.81 64.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.476 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -64.54 -50.06 68.79 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.401 -1.319 . . . . 0.0 109.077 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CZ2' ' S' ' 99' ' ' TRP . . . -59.19 -51.98 67.67 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.735 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -43.07 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.438 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' R' ' 30' ' ' TYR . 22.0 tp60 3.82 -67.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.955 2.659 . . . . 0.0 111.41 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.1 m-20 -83.35 -95.56 0.06 Allowed 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 117.653 -1.619 . . . . 0.0 107.161 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.22 23.83 0.55 Allowed 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' S' ' 99' ' ' TRP . 2.9 mm? -88.59 10.06 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.7 p-80 -75.73 -37.75 59.11 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 117.014 -1.874 . . . . 0.0 110.774 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 35' ' ' HIS . 3.9 mt -34.4 -59.32 0.58 Allowed Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.45 -81.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 120.521 0.814 . . . . 0.0 112.386 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -52.18 -36.73 52.66 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.283 -1.367 . . . . 0.0 109.678 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.6 tp -57.57 -32.77 67.48 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.744 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' R' ' 42' ' ' MET . 5.8 m-20 -81.45 -15.95 53.51 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.083 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.44 -11.06 3.84 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 117.777 -1.569 . . . . 0.0 108.603 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.447 ' N ' ' C ' ' R' ' 40' ' ' ASN . 6.1 mmt -128.77 30.39 5.11 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.452 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.848 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.2 OUTLIER -74.99 5.98 4.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.509 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.438 ' C ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -40.23 160.02 0.13 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.521 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -52.43 -67.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.07 1.18 . . . . 0.0 111.613 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' R' ' 46' ' ' ASP . 0.0 OUTLIER -44.96 -36.2 3.26 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.393 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.62 -31.81 47.15 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.505 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -68.71 -61.55 1.76 Allowed 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.49 -3.19 1.31 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.821 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.52 -46.41 6.99 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.18 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.48 -57.5 3.06 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 52' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -51.62 -77.23 0.14 Allowed Glycine 0 N--CA 1.492 2.393 0 C-N-CA 119.981 -1.104 . . . . 0.0 112.185 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -20.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.469 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' R' ' 52' ' ' GLY . 0.3 OUTLIER -79.55 -72.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.837 -1.145 . . . . 0.0 111.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -14.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 118.317 -1.353 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 56' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' R' ' 54' ' ' ARG . 1.2 mmm-85 -71.35 -39.28 71.4 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.743 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 2.9 pt -58.97 -53.6 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 118.744 -1.182 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' R' ' 100' ' ' LEU . 4.9 m -53.42 -45.1 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 118.341 -1.343 . . . . 0.0 109.934 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -66.65 0.43 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.186 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.48 -15.53 38.55 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.804 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.07 -28.4 43.11 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.512 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 tp -50.22 -48.03 54.61 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.678 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -77.35 -3.16 38.69 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.441 -0.904 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.26 22.35 4.54 Favored Glycine 0 N--CA 1.49 2.296 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -56.24 -29.43 61.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 3.5 mmt -100.32 -90.33 0.32 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.22 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 10.7 t 55.85 51.87 11.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -76.75 -39.21 52.45 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.901 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -89.4 -89.94 0.14 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.544 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -165.96 91.69 0.48 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mt -111.01 13.53 22.02 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -112.35 -2.53 14.76 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.0 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -64.39 -85.42 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -149.98 77.09 1.31 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 27.4 tp -58.38 -29.92 66.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.634 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.25 41.18 7.11 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.295 -1.431 . . . . 0.0 109.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.68 40.46 0.39 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.628 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.29 8.6 58.63 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.479 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.654 HD12 ' N ' ' R' ' 79' ' ' ILE . 1.7 mp -89.27 -0.38 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.733 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.89 0.62 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.721 -0.792 . . . . 0.0 112.071 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 26.6 p -130.53 -46.12 1.08 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 119.606 -0.838 . . . . 0.0 112.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.407 ' C ' ' N ' ' R' ' 84' ' ' ARG . 2.2 pp -72.78 -1.61 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 119.434 -0.906 . . . . 0.0 112.224 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -25.22 0.17 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 84' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' R' ' 82' ' ' ILE . 13.1 ttt180 -54.05 -85.43 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.865 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.09 59.3 6.39 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.668 -1.253 . . . . 0.0 111.316 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -48.59 150.86 1.26 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.972 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -150.23 18.37 0.85 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.664 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 13.2 m -50.0 119.98 4.03 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.159 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -8.1 20.21 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.678 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -81.63 16.16 1.86 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.172 -1.011 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.55 6.55 2.99 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 40.99 61.88 6.95 Favored Pre-proline 0 N--CA 1.489 1.499 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.794 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' R' ' 95' ' ' GLU . 1.1 Cg_endo -62.99 -18.1 63.53 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.428 1.418 . . . . 0.0 110.885 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 94' ' ' VAL . . . . . 0.433 ' C ' ' H ' ' R' ' 96' ' ' LEU . 60.5 t -48.49 -13.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 95' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' R' ' 93' ' ' PRO . 2.3 mm-40 -69.91 3.99 2.31 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.882 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.744 HD11 HD13 ' R' ' 100' ' ' LEU . 17.1 tp -97.62 -56.66 2.45 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -22.6 0.08 Allowed 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' R' ' 96' ' ' LEU . 18.9 mt-30 -52.81 -55.14 25.18 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.562 ' CZ3' HG11 ' R' ' 103' ' ' VAL . 57.8 t90 -87.61 -54.19 4.4 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.744 HD13 HD11 ' R' ' 96' ' ' LEU . 2.9 tp -35.38 -38.13 0.1 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.036 -0.984 . . . . 0.0 113.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.13 -29.99 62.08 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.134 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 102' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.9 mm-40 -84.87 -18.18 35.63 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.628 -0.829 . . . . 0.0 113.073 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.562 HG11 ' CZ3' ' R' ' 99' ' ' TRP . 1.5 p -96.42 -30.31 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.866 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' R' ' 106' ' ' LYS . 4.5 mt -105.8 -51.89 2.91 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.325 -0.95 . . . . 0.0 112.163 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.67 23.52 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 106' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' R' ' 104' ' ' LEU . 8.5 tttm -60.91 104.99 0.41 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.457 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.419 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.02 153.03 0.12 Allowed Pre-proline 0 N--CA 1.488 1.447 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -63.36 163.71 22.67 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 121.358 1.372 . . . . 0.0 112.036 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -173.87 0.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.779 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -112.99 -164.52 0.92 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.717 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.9 -164.9 1.01 Allowed 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.469 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.03 60.6 1.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 31.6 mmm -62.52 106.84 0.83 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.66 105.7 0.06 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.225 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.41 125.93 30.05 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.369 -0.933 . . . . 0.0 110.691 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -91.96 -117.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.0 105.22 3.64 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.168 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -121.0 25.59 9.55 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.862 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -72.23 -40.78 67.5 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.408 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' S' ' 20' ' ' LEU . 18.7 mt-10 -75.22 -51.53 13.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.217 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.462 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 72.9 t-105 -35.77 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' S' ' 18' ' ' GLU . 12.5 mt -108.32 -67.95 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.16 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 21' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' S' ' 20' ' ' LEU . 18.3 mtp85 -32.24 -47.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' S' ' 24' ' ' ASP . 49.9 m-85 -89.7 -40.54 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.427 -1.309 . . . . 0.0 111.626 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 72.4 t -56.51 -12.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 C-N-CA 117.933 -1.507 . . . . 0.0 108.61 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' S' ' 22' ' ' PHE . 11.6 t0 -71.94 -32.79 67.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.336 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.45 -29.05 41.63 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.555 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 tp -51.25 -47.0 62.55 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 27' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' S' ' 27' ' ' LYS . 2.8 mtmt -63.63 -50.87 67.65 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.686 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 28' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 15.8 m-20 -42.16 -40.6 2.39 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.037 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.547 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -70.65 -49.36 48.21 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.066 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.9 m-85 -44.42 -83.22 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 118.894 -1.123 . . . . 0.0 109.788 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.562 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.6 tp-100 -16.6 -64.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 O-C-N 125.612 1.82 . . . . 0.0 112.498 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' S' ' 34' ' ' LEU . 2.5 m120 -73.2 32.92 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.729 ' N ' ' O ' ' S' ' 30' ' ' TYR . 7.3 t0 30.7 28.33 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.177 0.923 . . . . 0.0 112.187 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' S' ' 32' ' ' ASN . 4.0 mt -94.9 14.83 20.3 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 118.791 -1.164 . . . . 0.0 110.048 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' HD22 ' S' ' 36' ' ' LEU . 30.0 p-80 -70.32 -37.5 74.73 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.441 -1.304 . . . . 0.0 112.018 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' S' ' 35' ' ' HIS . 2.1 mm? -30.93 -61.12 0.27 Allowed Pre-proline 0 N--CA 1.505 2.289 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -60.77 -78.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.115 1.21 . . . . 0.0 113.537 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 0.6 OUTLIER -46.25 -43.26 15.39 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.203 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.481 HD23 ' N ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -41.8 -71.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.626 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 40' ' ' ASN . . . . . 0.481 ' N ' HD23 ' S' ' 39' ' ' LEU . 7.1 t-20 -36.87 -56.51 0.86 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.327 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.97 -21.6 66.22 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.601 -0.84 . . . . 0.0 113.061 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 42' ' ' MET . . . . . 0.441 ' SD ' HG11 ' R' ' 58' ' ' VAL . 36.3 mtp -99.27 -58.5 1.92 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.274 -0.97 . . . . 0.0 113.424 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.57 17.12 18.46 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.45 ' OG1' ' OD1' ' S' ' 40' ' ' ASN . 0.8 OUTLIER -44.84 -50.38 25.53 Favored Pre-proline 0 N--CA 1.493 1.701 0 C-N-CA 118.204 -1.398 . . . . 0.0 112.435 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 45' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' S' ' 47' ' ' GLU . 5.2 Cg_endo -71.83 -60.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 120.463 0.775 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.8 m-20 -56.81 -5.48 0.24 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' S' ' 45' ' ' PRO . 0.2 OUTLIER -62.16 -69.22 0.26 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.068 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -75.72 -20.17 58.55 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.45 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.03 -37.86 15.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.206 -0.998 . . . . 0.0 113.531 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -105.2 -30.37 9.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.708 HD21 HG22 ' R' ' 23' ' ' VAL . 0.2 OUTLIER -69.89 -74.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.347 -1.341 . . . . 0.0 112.042 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 52' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' S' ' 51' ' ' LEU . . . -37.13 -41.97 0.74 Allowed Glycine 0 N--CA 1.49 2.256 0 C-N-CA 120.26 -0.971 . . . . 0.0 111.526 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -67.88 -56.2 10.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.577 ' HA ' HD11 ' S' ' 57' ' ' ILE . 4.1 ttp180 -53.59 -18.9 3.27 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.61 -34.62 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -63.76 1.13 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.19 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' S' ' 54' ' ' ARG . 0.4 OUTLIER -43.9 -77.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.16 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' S' ' 57' ' ' ILE . 98.7 t -36.22 -71.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' S' ' 58' ' ' VAL . 22.1 tt0 -37.17 -37.04 0.15 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.568 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.33 -44.86 74.42 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' S' ' 58' ' ' VAL . 6.5 mt -62.22 -27.67 69.16 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.85 -64.23 0.79 Allowed 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -95.19 15.76 18.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' S' ' 66' ' ' MET . . . -92.26 -91.26 1.46 Allowed Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.261 -1.447 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 42.75 17.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.308 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 66' ' ' MET . . . . . 0.538 ' N ' ' O ' ' S' ' 64' ' ' GLY . 7.2 ttt -127.18 -46.21 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m 46.04 81.93 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.691 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -53.71 -76.69 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.953 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -131.32 -94.53 0.37 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.419 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -100.81 56.76 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.819 -0.753 . . . . 0.0 112.052 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.35 -66.15 0.92 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.502 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -0.01 39.99 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.478 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -83.37 -61.77 1.76 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -128.59 49.32 2.21 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.652 HD12 ' O ' ' S' ' 75' ' ' LEU . 0.7 OUTLIER -47.85 -50.44 26.32 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.894 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 76' ' ' GLY . . . . . 0.579 ' H ' HD11 ' S' ' 79' ' ' ILE . . . 114.68 100.43 2.33 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . 56.94 59.31 3.53 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 78' ' ' GLY . . . . . 0.782 ' H ' HD12 ' S' ' 79' ' ' ILE . . . -178.57 22.73 0.05 OUTLIER Glycine 0 N--CA 1.49 2.245 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.211 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.782 HD12 ' H ' ' S' ' 78' ' ' GLY . 1.1 mp -118.4 28.07 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.799 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.88 -2.15 58.37 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.0 -13.97 6.17 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.599 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.423 HD13 HG21 ' S' ' 82' ' ' ILE . 2.6 mt -93.92 -77.1 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.416 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -94.99 26.4 3.66 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -36.54 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.015 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.6 141.6 21.26 Favored Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.123 -1.513 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -50.06 143.33 8.22 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 88' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' S' ' 92' ' ' ALA . 0.1 OUTLIER -174.02 9.6 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.16 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.641 HD23 ' H ' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -72.1 -31.25 65.88 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.104 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -89.8 -8.51 51.96 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.87 59.6 0.67 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' S' ' 93' ' ' PRO . . . -87.1 162.19 44.38 Favored Pre-proline 0 C--N 1.306 -1.304 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' S' ' 92' ' ' ALA . 1.3 Cg_endo -61.43 -14.66 36.18 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.682 1.588 . . . . 0.0 111.481 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -12.58 6.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 C-N-CA 118.729 -1.188 . . . . 0.0 109.082 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.32 -9.44 23.56 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.387 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.52 HD11 HD13 ' S' ' 100' ' ' LEU . 20.5 tp -89.43 -48.07 7.58 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -25.66 0.61 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.097 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 98' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' S' ' 96' ' ' LEU . 11.2 mm100 -46.44 -57.34 4.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.743 ' HB2' HD12 ' R' ' 34' ' ' LEU . 45.6 t90 -89.66 -56.33 3.29 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.384 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.52 HD13 HD11 ' S' ' 96' ' ' LEU . 1.8 tp -33.39 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.859 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 101' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' S' ' 99' ' ' TRP . 7.5 tt0 -82.07 -35.93 28.18 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' S' ' 99' ' ' TRP . 31.6 mt-10 -74.16 -10.97 60.14 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.149 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.418 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.2 p -108.05 -40.52 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 C-N-CA 119.159 -1.016 . . . . 0.0 113.301 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -81.67 -51.46 8.18 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.654 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 105' ' ' LEU . . . . . 0.433 ' N ' HD12 ' S' ' 105' ' ' LEU . 8.2 mp -69.92 -83.09 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.622 -1.231 . . . . 0.0 111.595 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -132.04 -170.99 2.52 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 116.244 -1.836 . . . . 0.0 110.993 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 157.14 76.6 Favored Pre-proline 0 N--CA 1.491 1.623 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.545 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -64.93 -7.54 15.45 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.526 1.484 . . . . 0.0 112.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -104.85 -80.62 0.54 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.736 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -69.92 -171.13 0.39 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.605 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.06 -112.03 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.58 -96.51 0.08 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.84 115.04 0.74 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.802 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.21 -34.26 11.17 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.531 -0.867 . . . . 0.0 111.414 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -154.91 -15.49 0.12 Allowed 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.926 -1.11 . . . . 0.0 111.689 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.06 109.72 2.25 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.4 -61.81 0.18 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.22 24.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -83.43 -67.64 0.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.567 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -26.92 65.41 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.497 ' O ' HG22 ' R' ' 23' ' ' VAL . 77.3 t-105 -49.53 -48.45 48.22 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.232 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.97 -50.41 10.46 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -51.19 -38.47 52.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' R' ' 24' ' ' ASP . 40.2 t80 -75.09 -71.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.306 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.497 HG22 ' O ' ' R' ' 19' ' ' TRP . 27.2 m -42.77 -21.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 24' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' R' ' 22' ' ' PHE . 0.5 OUTLIER -68.39 -45.45 72.69 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.816 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.4 -30.17 69.02 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.321 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.54 -52.92 62.11 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.336 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -52.68 -58.4 6.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -38.43 -55.23 1.41 Allowed 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.053 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.46 75.73 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.619 ' O ' ' N ' ' R' ' 32' ' ' ASN . 1.5 m-85 -45.69 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.04 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' R' ' 30' ' ' TYR . 4.3 tt0 5.1 -69.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 127.149 2.781 . . . . 0.0 111.294 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.7 m-20 -81.92 -96.83 0.04 OUTLIER 'General case' 0 C--N 1.274 -2.696 0 C-N-CA 117.917 -1.513 . . . . 0.0 107.72 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.34 26.58 0.52 Allowed 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 8.14 31.46 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 15.8 p-80 -70.03 -43.72 70.73 Favored 'General case' 0 C--N 1.292 -1.899 0 C-N-CA 117.731 -1.588 . . . . 0.0 112.036 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.46 -57.59 1.83 Allowed Pre-proline 0 N--CA 1.502 2.145 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.59 -73.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 120.612 0.875 . . . . 0.0 113.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.419 ' HB3' HD21 ' S' ' 96' ' ' LEU . 0.3 OUTLIER -59.21 -36.54 75.57 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.102 -1.439 . . . . 0.0 109.869 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 57.1 tp -57.5 -36.22 71.23 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.86 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -63.15 -34.3 77.33 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.866 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.495 HD23 HD12 ' S' ' 96' ' ' LEU . 0.2 OUTLIER -48.64 -33.24 9.56 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.617 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.427 ' HG2' ' HE ' ' S' ' 54' ' ' ARG . 0.2 OUTLIER -83.86 28.85 0.57 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.079 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.87 -0.76 4.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.509 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.403 HG23 ' H ' ' R' ' 46' ' ' ASP . 0.3 OUTLIER -47.94 148.78 2.69 Favored Pre-proline 0 C--N 1.301 -1.512 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.017 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -55.82 -44.78 44.3 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 120.726 0.95 . . . . 0.0 111.342 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 46' ' ' ASP . . . . . 0.403 ' H ' HG23 ' R' ' 44' ' ' THR . 3.7 t70 -65.35 3.57 0.64 Allowed 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.17 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -114.79 -48.56 2.84 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -70.7 -51.92 24.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 49' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' R' ' 53' ' ' THR . 0.5 OUTLIER -63.46 -7.42 6.72 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.042 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.51 -28.4 11.78 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.457 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 6.1 tt -64.26 -53.1 54.43 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.96 -38.87 90.67 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.33 -1.414 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 53' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.3 OUTLIER -63.96 -33.79 76.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.005 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.7 -22.97 61.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.61 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.44 -27.23 7.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 56' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' R' ' 57' ' ' ILE . 4.8 mtm180 -63.49 -56.6 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.556 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -41.78 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.236 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' R' ' 57' ' ' ILE . 73.3 t -34.7 -63.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.33 -44.14 23.43 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.829 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 60' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 62' ' ' LEU . 32.3 tt0 -69.05 -55.42 10.84 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.77 -19.85 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' R' ' 64' ' ' GLY . 5.9 tp -42.36 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.691 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 13.59 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.401 -0.919 . . . . 0.0 111.631 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 64' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -84.97 -16.25 65.6 Favored Glycine 0 N--CA 1.488 2.122 0 C-N-CA 119.505 -1.331 . . . . 0.0 110.185 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.82 -44.5 77.1 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 7.1 ttm -95.5 -59.88 1.78 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.194 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.19 92.94 5.14 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.706 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.33 -63.7 1.22 Allowed 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -59.32 -1.07 0.18 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.715 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 70' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' R' ' 70' ' ' GLU . 1.7 mm-40 -96.56 5.82 50.0 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.924 -1.11 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.54 159.01 34.14 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt 57.67 64.09 1.65 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -94.78 18.65 11.32 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 51.12 70.83 0.49 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.38 -38.8 21.51 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.05 43.78 0.05 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.092 -1.528 . . . . 0.0 110.732 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.96 -22.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.41 -126.22 7.5 Favored Glycine 0 N--CA 1.489 2.196 0 C-N-CA 119.2 -1.476 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.422 HD13 HG21 ' R' ' 79' ' ' ILE . 11.3 mt -87.26 -37.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.006 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 80' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' R' ' 79' ' ' ILE . . . 40.91 -102.38 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -126.84 3.66 6.64 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.442 HD13 HG21 ' R' ' 82' ' ' ILE . 6.2 mt -57.06 -68.12 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.249 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 84.9 m -72.33 -70.69 0.33 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.663 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -52.77 -94.36 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.55 -103.87 0.82 Allowed Glycine 0 N--CA 1.49 2.3 0 C-N-CA 119.382 -1.39 . . . . 0.0 110.502 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 80.6 p -160.78 79.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 48.85 74.37 0.18 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 88' ' ' SER . . . . . 0.515 ' C ' ' H ' ' R' ' 90' ' ' LYS . 2.6 p -79.13 -87.4 0.06 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 89' ' ' LEU . . . . . 0.432 ' H ' HD23 ' R' ' 89' ' ' LEU . 0.5 OUTLIER -52.63 -6.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.041 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' R' R ' 90' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' R' ' 88' ' ' SER . 51.0 mttm -93.59 13.02 23.29 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.43 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 91' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' R' ' 92' ' ' ALA . . . -125.95 -81.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.31 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 92' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' R' ' 91' ' ' ALA . . . 170.91 78.16 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -71.27 -10.86 27.92 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 121.525 1.483 . . . . 0.0 111.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -13.59 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.03 -8.54 58.66 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.548 HD11 HD13 ' R' ' 100' ' ' LEU . 21.7 tp -96.4 -41.24 8.71 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mtp-105 -52.8 -21.07 3.73 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -59.92 -66.1 0.57 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.457 ' O ' ' N ' ' R' ' 102' ' ' GLU . 27.5 t90 -72.06 -58.33 3.53 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.55 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.548 HD13 HD11 ' R' ' 96' ' ' LEU . 1.5 tp -38.61 -31.71 0.06 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.38 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.79 -34.65 74.01 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.663 -1.215 . . . . 0.0 110.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 99' ' ' TRP . 33.2 mt-10 -79.25 -19.13 51.39 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.442 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.2 p -99.66 -26.58 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 119.085 -1.046 . . . . 0.0 113.365 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.8 -32.23 9.43 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.87 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 -70.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.651 -1.22 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -90.71 113.19 25.22 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 116.259 -1.829 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.95 155.67 30.5 Favored Pre-proline 0 N--CA 1.487 1.414 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.292 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.12 105.22 0.14 Allowed 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.088 1.192 . . . . 0.0 111.357 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 7' ' ' TYR . . . . . 0.581 ' CD2' ' N ' ' S' ' 8' ' ' SER . 4.3 p90 -100.89 -159.9 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 8' ' ' SER . . . . . 0.581 ' N ' ' CD2' ' S' ' 7' ' ' TYR . 1.2 p 70.73 120.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.57 -75.16 0.56 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.4 -1.35 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.585 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 9.4 ttp -45.93 -71.98 0.06 Allowed 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . 57.4 171.76 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.82 132.35 52.89 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.778 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -52.62 163.02 0.49 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.38 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 46.22 71.1 0.32 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -120.28 -37.26 3.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.99 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' S' ' 20' ' ' LEU . 8.1 pt-20 -102.32 -28.54 12.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.13 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.457 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 57.9 t-105 -45.1 -16.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.257 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' S' ' 18' ' ' GLU . 24.7 mt -114.11 -57.22 2.3 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.566 -0.853 . . . . 0.0 112.237 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -31.54 8.46 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' S' ' 25' ' ' LEU . 1.3 m-85 -93.97 -53.75 3.86 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.62 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -46.23 -31.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.08 -38.38 82.72 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.266 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' S' ' 22' ' ' PHE . 68.0 mt -69.87 -33.48 72.3 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.06 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.52 -34.64 67.22 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.333 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -22.89 59.89 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.95 -49.9 40.49 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.44 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -60.89 -43.3 98.67 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.173 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.725 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.5 OUTLIER -44.22 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.474 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.3 tp60 -15.12 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 125.085 1.49 . . . . 0.0 113.296 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' S' ' 34' ' ' LEU . 6.0 m120 -78.04 35.1 0.2 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.725 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 32.35 28.6 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.132 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.0 OUTLIER -93.66 16.88 12.81 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.393 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -89.55 -27.15 20.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.956 -1.097 . . . . 0.0 112.348 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -44.51 -50.96 22.05 Favored Pre-proline 0 N--CA 1.491 1.599 0 C-N-CA 118.502 -1.279 . . . . 0.0 112.754 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -57.03 -65.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 120.074 0.516 . . . . 0.0 111.566 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.605 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -53.44 -34.87 59.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.087 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -55.39 -61.0 2.63 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.57 -39.31 0.71 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.688 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -43.49 -67.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.92 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 8.3 ttt -91.93 46.25 1.26 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.825 -1.15 . . . . 0.0 113.298 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.8 OUTLIER -60.33 -57.32 13.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.312 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.1 OUTLIER 51.69 154.62 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.068 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -67.44 -35.97 21.7 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.325 1.35 . . . . 0.0 111.251 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.33 -71.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.879 -0.729 . . . . 0.0 111.48 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' HG1' ' S' ' 44' ' ' THR . 1.9 mm-40 -40.88 -41.68 1.65 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.243 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -64.98 -60.98 2.44 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.24 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -70.64 5.43 1.88 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' S' ' 51' ' ' LEU . . . -109.92 -42.96 4.09 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.768 -0.773 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' S' ' 50' ' ' ALA . 6.3 tt -42.69 -50.6 5.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 52' ' ' GLY . . . . . 0.656 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -55.67 -56.95 21.14 Favored Glycine 0 N--CA 1.483 1.8 0 C-N-CA 119.274 -1.441 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 53' ' ' THR . . . . . 0.477 ' C ' ' O ' ' S' ' 52' ' ' GLY . 2.1 m -36.53 -30.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.057 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' S' ' 52' ' ' GLY . 2.3 mtp85 -82.61 -42.79 17.78 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.568 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.656 HG12 ' O ' ' S' ' 52' ' ' GLY . 4.7 p -51.36 -17.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 118.128 -1.429 . . . . 0.0 110.124 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.6 OUTLIER -65.26 -60.66 2.75 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.237 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.47 HD11 ' NH2' ' S' ' 54' ' ' ARG . 0.5 OUTLIER -49.96 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 118.771 -1.171 . . . . 0.0 111.571 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' S' ' 57' ' ' ILE . 67.9 t -36.72 -52.85 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.235 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 59' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' S' ' 62' ' ' LEU . 3.9 tm-20 -58.4 -60.1 4.31 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' S' ' 60' ' ' GLU . 0.5 OUTLIER -38.69 -34.09 0.13 Allowed 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.382 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mt -75.19 -37.58 61.13 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 62' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' S' ' 59' ' ' GLU . 4.4 tt -48.39 -50.39 30.98 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -84.34 0.96 47.21 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.631 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.13 23.17 37.25 Favored Glycine 0 N--CA 1.488 2.143 0 C-N-CA 119.735 -1.222 . . . . 0.0 110.13 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.47 -18.74 60.39 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.338 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.65 5.9 27.3 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.488 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -87.61 91.94 8.92 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.36 -73.1 0.45 Allowed 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.44 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -83.84 -11.29 57.21 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.206 -0.997 . . . . 0.0 110.052 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -101.76 52.25 0.83 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -44.6 64.19 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.585 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.98 9.32 20.46 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.734 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.87 9.08 31.78 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 74' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' S' ' 75' ' ' LEU . 7.6 mm-40 -92.41 54.64 2.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' S' ' 74' ' ' GLU . 2.7 mt -34.96 -89.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.394 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 76' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' S' ' 77' ' ' ALA . . . 45.85 22.87 0.87 Allowed Glycine 0 N--CA 1.492 2.389 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 77' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' S' ' 76' ' ' GLY . . . 71.0 112.31 0.06 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.91 2.92 0.61 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 119.438 -1.363 . . . . 0.0 110.759 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 tp -70.37 -9.41 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.83 -42.41 60.92 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.487 -0.885 . . . . 0.0 111.674 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -20.9 63.58 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.621 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 mt -93.4 -32.35 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -71.12 0.07 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.485 -0.886 . . . . 0.0 111.429 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -71.69 0.21 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.45 -102.14 0.15 Allowed Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.384 -1.389 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.42 23.86 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.441 -0.904 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.08 116.14 0.86 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 88' ' ' SER . . . . . 0.585 ' HB3' ' HB3' ' S' ' 91' ' ' ALA . 3.2 t -152.99 -176.37 5.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.77 -70.45 0.24 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -92.27 -23.86 19.17 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.532 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 91' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' S' ' 88' ' ' SER . . . -78.5 40.02 0.35 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.771 -1.171 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' S' ' 94' ' ' VAL . . . -76.5 148.73 80.53 Favored Pre-proline 0 C--N 1.305 -1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.976 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.472 ' C ' ' N ' ' S' ' 95' ' ' GLU . 2.2 Cg_endo -61.91 -0.89 1.83 Allowed 'Trans proline' 0 C--O 1.213 -0.753 0 C-N-CA 121.474 1.449 . . . . 0.0 111.005 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 94' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' S' ' 92' ' ' ALA . 43.2 t -53.4 -16.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.822 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 95' ' ' GLU . . . . . 0.472 ' N ' ' C ' ' S' ' 93' ' ' PRO . 25.7 mt-10 -86.23 -23.89 26.25 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.335 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.552 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -73.83 -43.28 59.23 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.489 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -30.11 33.33 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -47.19 -63.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.431 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' S' ' 100' ' ' LEU . 48.9 t90 -82.36 -57.43 3.37 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.132 -1.027 . . . . 0.0 112.592 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.552 HD13 HD22 ' S' ' 96' ' ' LEU . 1.8 tp -31.64 -53.08 0.24 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.103 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.78 -40.05 69.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.456 -0.898 . . . . 0.0 112.135 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' S' ' 99' ' ' TRP . 23.0 mt-10 -65.08 -35.9 82.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.1 p -102.4 -30.42 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 104' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' S' ' 106' ' ' LYS . 0.4 OUTLIER -84.91 -65.62 0.99 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.834 -1.147 . . . . 0.0 111.932 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 105' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' S' ' 105' ' ' LEU . 2.6 mm? -53.98 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.246 -0.981 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 106' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' S' ' 104' ' ' LEU . 11.3 tptp -69.88 104.9 2.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.483 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 116.329 -1.796 . . . . 0.0 110.929 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.209 0.528 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.39 163.97 22.4 Favored Pre-proline 0 C--N 1.303 -1.453 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.776 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 6' ' ' PRO . . . . . 0.533 ' O ' ' CG ' ' R' ' 7' ' ' TYR . 13.2 Cg_exo -48.8 -61.73 0.54 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.17 1.247 . . . . 0.0 111.78 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 7' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' R' ' 6' ' ' PRO . 54.9 m-85 -159.69 91.94 1.01 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.653 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.68 137.16 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.67 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.42 -5.44 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.76 128.65 46.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.01 20.52 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.67 122.36 3.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.25 178.3 2.9 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.727 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 14' ' ' GLN . . . . . 0.406 ' OE1' ' NH1' ' R' ' 15' ' ' ARG . 68.9 mt-30 -78.39 -79.79 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.212 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 15' ' ' ARG . . . . . 0.406 ' NH1' ' OE1' ' R' ' 14' ' ' GLN . 0.6 OUTLIER -60.35 96.66 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.903 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.58 -46.33 0.06 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.628 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.47 -10.52 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.176 -1.009 . . . . 0.0 110.675 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.2 OUTLIER -104.24 -36.24 7.71 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.467 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.6 t-105 -47.29 -12.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.286 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' R' ' 18' ' ' GLU . 15.9 mt -113.51 -58.96 2.08 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.705 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -49.67 -53.32 25.15 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.7 ' CD1' HG13 ' S' ' 55' ' ' VAL . 1.2 t80 -67.68 -52.79 33.81 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -51.59 -22.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 C-N-CA 118.367 -1.333 . . . . 0.0 110.709 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -25.02 55.41 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.731 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.93 -21.71 37.13 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.168 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.05 39.79 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.322 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 27' ' ' LYS . . . . . 0.444 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -61.19 -29.93 70.11 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.087 -1.045 . . . . 0.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -56.49 -59.51 4.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.651 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.547 ' CB ' HD21 ' R' ' 38' ' ' LEU . . . -49.45 -52.24 30.37 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 118.365 -1.334 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -45.38 -68.73 0.17 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.325 -1.35 . . . . 0.0 109.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' R' ' 30' ' ' TYR . 13.1 tt0 7.57 -69.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 126.898 2.624 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.663 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.9 OUTLIER -91.2 -93.35 0.14 Allowed 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 117.871 -1.531 . . . . 0.0 107.018 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 91.4 m-20 -148.88 26.65 0.9 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.555 ' H ' HD22 ' R' ' 34' ' ' LEU . 0.5 OUTLIER -87.12 4.68 41.26 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.198 -1.801 . . . . 0.0 114.428 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.45 ' ND1' ' N ' ' R' ' 35' ' ' HIS . 2.4 p-80 -67.18 -54.3 22.42 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 117.21 -1.796 . . . . 0.0 111.841 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.5 mm? -27.87 -62.04 0.19 Allowed Pre-proline 0 N--CA 1.502 2.171 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.7 Cg_endo -52.61 -85.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.981 0 C-N-CA 120.646 0.897 . . . . 0.0 113.152 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' R' ' 29' ' ' ALA . 2.4 pp -52.42 -39.2 60.69 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.309 -1.356 . . . . 0.0 111.173 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 29.3 tp -41.11 -42.06 1.91 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.652 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.6 OUTLIER -66.08 -44.09 85.46 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.552 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' R' ' 38' ' ' LEU . 6.8 tp -60.93 -0.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.449 ' H ' ' C ' ' R' ' 40' ' ' ASN . 18.9 ttt -105.55 -44.95 4.56 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.771 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.587 ' C ' HG23 ' R' ' 44' ' ' THR . 7.1 mt -100.1 -28.38 13.07 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.737 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.587 HG23 ' C ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER 53.18 178.46 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.603 0 C-N-CA 118.48 -1.288 . . . . 0.0 108.195 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -66.22 -51.33 1.15 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.014 1.142 . . . . 0.0 113.415 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -42.37 -59.55 1.8 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.562 -0.855 . . . . 0.0 112.23 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 47' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 20.0 mt-10 -78.37 -19.44 53.38 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.355 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 48' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' R' ' 50' ' ' ALA . 10.7 ttt180 -53.01 -49.53 66.04 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -14.89 1.96 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.385 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' R' ' 47' ' ' GLU . . . -85.53 -39.93 16.88 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' R' ' 50' ' ' ALA . 3.7 tt -45.78 -53.55 9.39 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.33 -57.73 6.25 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 12.9 m -58.26 -16.43 13.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 54' ' ' ARG . . . . . 0.457 ' NH2' ' OG1' ' S' ' 44' ' ' THR . 0.0 OUTLIER -84.76 -63.18 1.38 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.507 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.711 HG23 ' CD2' ' S' ' 22' ' ' PHE . 1.5 p -45.27 -25.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.5 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 56' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' R' ' 54' ' ' ARG . 16.5 ttm180 -60.9 -60.22 4.13 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.054 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' S' ' 42' ' ' MET . 0.9 OUTLIER -44.55 -57.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.757 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.873 HG13 HD11 ' R' ' 100' ' ' LEU . 76.5 t -48.93 -60.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.373 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.12 -42.09 6.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' R' ' 62' ' ' LEU . 0.0 OUTLIER -77.28 -45.68 25.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.964 -1.095 . . . . 0.0 111.582 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 61' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' R' ' 62' ' ' LEU . 20.3 mt -54.36 -11.45 0.52 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' R' ' 61' ' ' LEU . 10.8 tp -19.38 -80.49 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 124.161 0.913 . . . . 0.0 111.779 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -75.07 -91.35 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.82 -94.83 1.04 Allowed Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.934 -1.127 . . . . 0.0 110.451 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.61 -49.6 0.98 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.622 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -15.98 58.7 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.486 -0.886 . . . . 0.0 110.525 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 6.8 m 53.3 -161.38 0.12 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.12 -67.13 0.4 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -115.81 -76.5 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.609 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 70' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' R' ' 72' ' ' LYS . 6.1 pt-20 -166.23 49.72 0.08 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.122 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.16 39.55 0.19 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 72' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' R' ' 70' ' ' GLU . 12.7 ptmt -143.39 7.28 1.53 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -128.37 -13.93 4.85 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 74' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' R' ' 76' ' ' GLY . 3.0 mm-40 -107.13 -84.33 0.52 Allowed 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.332 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.41 12.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.211 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 76' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' R' ' 74' ' ' GLU . . . 178.42 90.98 0.08 OUTLIER Glycine 0 N--CA 1.488 2.163 0 C-N-CA 118.608 -1.758 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.74 150.52 21.07 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.359 -0.937 . . . . 0.0 109.958 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.62 94.82 2.24 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.429 ' O ' HG23 ' R' ' 79' ' ' ILE . 1.5 tp -81.03 17.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 C-N-CA 119.724 -0.791 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.94 -9.14 47.2 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.203 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 12.1 p -103.58 -9.18 19.45 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.51 -57.57 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.962 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 83' ' ' THR . . . . . 0.684 HG22 ' O ' ' R' ' 83' ' ' THR . 90.9 m -102.07 32.28 3.55 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 84' ' ' ARG . . . . . 0.734 ' HE ' ' N ' ' R' ' 85' ' ' GLY . 0.0 OUTLIER -13.89 -62.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.163 0 O-C-N 124.274 0.984 . . . . 0.0 113.119 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 85' ' ' GLY . . . . . 0.734 ' N ' ' HE ' ' R' ' 84' ' ' ARG . . . -172.43 151.93 15.6 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 118.811 -1.661 . . . . 0.0 111.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -161.27 31.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.192 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -38.2 -65.78 0.31 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.605 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 20.3 p -70.2 107.79 3.86 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 89' ' ' LEU . . . . . 0.788 ' H ' HD23 ' R' ' 89' ' ' LEU . 2.0 pt? -65.4 -8.34 18.27 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.361 -0.935 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -66.3 -16.5 64.09 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.485 -0.886 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.37 73.53 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.86 68.78 1.76 Allowed Pre-proline 0 N--CA 1.488 1.464 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.08 -21.07 24.39 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.669 1.579 . . . . 0.0 109.99 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 94' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' R' ' 96' ' ' LEU . 0.0 OUTLIER -52.15 -19.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.95 1.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.468 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.7 tp -94.42 -45.01 7.63 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.355 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 97' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' R' ' 97' ' ' ARG . 6.2 mtt85 -49.71 -21.87 1.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.803 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' R' ' 96' ' ' LEU . 18.2 mm-40 -52.99 -65.31 0.58 Allowed 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.854 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 40.3 t90 -77.54 -56.53 4.45 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 118.57 -1.252 . . . . 0.0 110.669 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.873 HD11 HG13 ' R' ' 58' ' ' VAL . 4.0 tp -35.61 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 101' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' R' ' 99' ' ' TRP . 2.9 tt0 -78.13 -37.78 45.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.339 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 102' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.3 mt-10 -74.63 -10.61 59.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.65 -34.04 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 118.999 -1.08 . . . . 0.0 113.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.23 -65.54 0.96 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.97 -56.81 15.31 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.54 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 106' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' R' ' 102' ' ' GLU . 44.9 tttt -113.41 125.24 54.03 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.444 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.31 -1.805 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -139.27 72.21 38.78 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.087 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 6' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' S' ' 7' ' ' TYR . 1.8 Cg_endo -66.54 -42.34 9.76 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.641 1.56 . . . . 0.0 111.819 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 7' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' S' ' 6' ' ' PRO . 1.8 t80 67.61 128.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.75 168.19 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.496 -0.881 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 119.69 17.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.34 -159.46 0.7 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.679 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 139.5 58.77 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.505 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.73 -80.18 0.18 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.04 171.41 8.96 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -103.22 40.52 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.313 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.02 117.29 10.48 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.589 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.3 p-80 -135.77 22.92 3.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.836 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -80.6 -65.86 0.96 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.629 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -63.6 -14.64 53.54 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.931 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -56.23 -16.43 5.36 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.51 -51.36 2.88 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.633 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -49.35 -50.33 40.34 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.711 ' CD2' HG23 ' R' ' 55' ' ' VAL . 34.4 t80 -75.59 -53.33 8.78 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 118.292 -1.363 . . . . 0.0 113.805 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' S' ' 22' ' ' PHE . 14.7 m -44.85 -27.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 118.284 -1.366 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.1 OUTLIER -60.15 -43.06 96.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' S' ' 22' ' ' PHE . 70.8 mt -61.96 -33.1 73.68 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.389 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -47.26 -34.75 6.91 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 118.503 -1.279 . . . . 0.0 109.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -70.81 -46.86 62.04 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.454 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.35 -42.91 22.46 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.39 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.854 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -76.83 -45.21 29.38 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.748 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.6 OUTLIER -48.11 -81.94 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.601 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.55 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -15.78 -67.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 125.066 1.479 . . . . 0.0 112.923 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 9.1 m-20 -74.95 35.3 0.1 Allowed 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.002 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.748 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 30.79 28.66 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 O-C-N 124.268 0.98 . . . . 0.0 111.913 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 3.6 mt -92.16 14.78 15.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.831 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.54 -29.98 33.31 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.143 -1.423 . . . . 0.0 110.738 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -37.96 -55.06 2.33 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.59 -66.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 CA-C-N 119.09 0.711 . . . . 0.0 111.203 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.654 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -50.61 -31.16 15.18 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.095 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -53.08 -56.99 11.95 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.754 -1.178 . . . . 0.0 108.506 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -31.37 35.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 26.8 tp -55.98 -28.29 56.46 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 42' ' ' MET . . . . . 0.561 ' SD ' HD11 ' R' ' 57' ' ' ILE . 1.3 mpp? -106.59 10.92 31.01 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.719 -0.792 . . . . 0.0 112.5 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.96 -1.11 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.524 ' H ' ' C ' ' S' ' 42' ' ' MET . 0.0 OUTLIER -43.67 159.97 0.22 Allowed Pre-proline 0 C--N 1.302 -1.47 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.207 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.23 -24.31 15.03 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.361 1.374 . . . . 0.0 111.508 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.67 -41.16 96.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -44.86 10.04 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.73 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -46.01 -57.24 4.59 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -61.29 -15.29 33.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.228 -0.989 . . . . 0.0 110.76 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 -5.73 33.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.034 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -81.27 -82.05 0.13 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.526 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 52' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' S' ' 51' ' ' LEU . . . -45.54 -34.28 4.94 Favored Glycine 0 N--CA 1.482 1.718 0 C-N-CA 119.472 -1.347 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -65.36 -54.75 24.35 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.847 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.428 ' NH2' HD13 ' R' ' 38' ' ' LEU . 11.0 tpt180 -45.52 -29.03 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.7 HG13 ' CD1' ' R' ' 22' ' ' PHE . 17.3 t -82.48 -37.0 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.998 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.493 ' NH1' ' OE1' ' S' ' 59' ' ' GLU . 0.1 OUTLIER -63.66 -60.93 2.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -41.29 -77.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.398 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' S' ' 57' ' ' ILE . 72.1 t -35.65 -52.23 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.846 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 59' ' ' GLU . . . . . 0.493 ' OE1' ' NH1' ' S' ' 56' ' ' ARG . 20.0 tt0 -55.78 -74.01 0.05 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.872 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' OE2' ' S' ' 74' ' ' GLU . 4.1 mm-40 -47.34 -50.5 21.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.752 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -41.73 -61.62 1.06 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.521 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -56.32 14.09 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.021 -1.071 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -12.36 0.63 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.245 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.12 25.13 7.17 Favored Glycine 0 N--CA 1.489 2.222 0 C-N-CA 119.324 -1.417 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.31 8.12 43.01 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 44.4 tpp -130.86 -71.59 0.57 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.929 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.41 84.47 2.52 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.212 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.02 -18.62 63.53 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -66.41 -29.11 69.19 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.248 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -110.64 46.96 1.01 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -23.47 24.12 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.146 -1.022 . . . . 0.0 110.423 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -151.32 -18.62 0.2 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.582 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -56.99 -73.64 0.06 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 74' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' S' ' 76' ' ' GLY . 37.3 mt-10 51.73 77.92 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.64 2.0 1.09 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 76' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' S' ' 74' ' ' GLU . . . -90.46 -14.73 58.14 Favored Glycine 0 N--CA 1.489 2.179 0 C-N-CA 119.178 -1.487 . . . . 0.0 109.956 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.17 -102.73 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.78 -175.6 42.64 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.274 -1.441 . . . . 0.0 111.038 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' H ' ' S' ' 79' ' ' ILE . 0.8 OUTLIER -92.47 8.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.147 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 80' ' ' ALA . . . . . 0.655 ' O ' HG22 ' S' ' 83' ' ' THR . . . -42.52 -46.1 4.72 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.715 -0.794 . . . . 0.0 111.714 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 69.2 p -77.34 -47.82 18.96 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.787 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.586 ' O ' HG22 ' S' ' 82' ' ' ILE . 47.8 mt -70.25 -1.69 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 119.486 -0.886 . . . . 0.0 111.244 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.655 HG22 ' O ' ' S' ' 80' ' ' ALA . 11.3 t -72.17 22.9 0.05 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.132 -1.027 . . . . 0.0 111.395 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' S' ' 82' ' ' ILE . 0.0 OUTLIER -41.21 -37.29 0.9 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.743 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.84 -140.37 5.65 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.097 -1.525 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.26 -170.98 3.54 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 87' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' S' ' 88' ' ' SER . 50.8 t30 52.01 -141.59 0.81 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 88' ' ' SER . . . . . 0.425 ' H ' ' CG ' ' S' ' 87' ' ' ASN . 0.6 OUTLIER 43.54 38.91 2.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.987 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 tp -40.93 -55.36 2.52 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.631 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 90' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' S' ' 91' ' ' ALA . 15.2 mttp -56.08 -86.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.528 -0.869 . . . . 0.0 112.108 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 91' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' S' ' 90' ' ' LYS . . . 76.48 -0.11 3.11 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.461 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.423 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . 50.49 68.42 3.43 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.922 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' S' ' 92' ' ' ALA . 18.1 Cg_endo -86.56 -17.95 3.3 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.234 1.956 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 94' ' ' VAL . . . . . 0.453 HG23 ' H ' ' S' ' 94' ' ' VAL . 2.1 t -56.86 -27.39 26.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.672 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -78.72 -9.8 59.55 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.521 HD23 ' O ' ' S' ' 96' ' ' LEU . 1.2 tt -93.84 -44.76 7.96 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.311 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -54.29 -15.59 1.68 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.663 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 98' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' S' ' 96' ' ' LEU . 41.4 mm-40 -51.75 -59.43 4.3 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.438 ' CH2' HG21 ' S' ' 103' ' ' VAL . 40.6 t90 -85.96 -49.27 7.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.056 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -43.5 -40.88 4.11 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.736 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.15 -24.64 27.42 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.39 -7.67 22.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.3 OUTLIER -97.75 -40.39 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 104' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' S' ' 106' ' ' LYS . 2.9 tp -106.3 -27.02 11.26 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.41 -0.916 . . . . 0.0 112.356 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.6 27.2 0.22 Allowed 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 110.521 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 106' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' S' ' 104' ' ' LEU . 9.2 mttp -84.08 77.2 9.98 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 116.397 -1.763 . . . . 0.0 110.9 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.861 0.363 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -178.8 70.48 0.2 Allowed Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.744 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 6' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' R' ' 8' ' ' SER . 2.0 Cg_endo -70.64 -8.19 23.05 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.88 1.72 . . . . 0.0 111.751 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.04 25.69 0.12 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.238 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 8' ' ' SER . . . . . 0.43 ' H ' ' C ' ' R' ' 6' ' ' PRO . 2.9 p -176.76 108.94 0.08 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.193 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.0 -36.03 0.27 Allowed 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.501 -0.879 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.7 3.08 17.49 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 11' ' ' MET . . . . . 0.457 ' O ' ' N ' ' R' ' 13' ' ' GLU . 35.3 mtt -86.7 124.66 33.2 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 110.703 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 82.32 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.355 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 13' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 11' ' ' MET . 27.0 tt0 -104.89 59.95 0.69 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.175 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -168.51 78.48 0.14 Allowed 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -82.25 93.21 7.07 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.069 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -134.54 8.15 3.61 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.498 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 17' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.6 mt-30 -83.89 -82.22 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' R' ' 20' ' ' LEU . 7.5 mt-10 -42.01 -27.12 0.11 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.45 ' HE1' HD21 ' S' ' 36' ' ' LEU . 68.4 t-105 -48.61 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.664 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' R' ' 18' ' ' GLU . 16.1 mt -118.17 -70.56 0.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.565 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -44.82 7.5 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 48.2 m-85 -87.07 -47.68 8.71 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 118.359 -1.337 . . . . 0.0 112.404 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -50.18 -21.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 C-N-CA 118.228 -1.389 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 86.8 m-20 -74.29 -38.65 63.32 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.242 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.42 -31.93 73.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.83 -45.86 92.8 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -20.52 66.16 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.45 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -70.8 -53.49 15.16 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.298 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.553 ' HB2' ' CZ3' ' S' ' 99' ' ' TRP . . . -56.33 -37.84 70.51 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.279 -1.368 . . . . 0.0 108.767 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -58.96 -69.5 0.19 Allowed 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 118.218 -1.393 . . . . 0.0 109.83 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.2 OUTLIER 7.51 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 126.794 2.559 . . . . 0.0 111.09 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.691 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.9 t-20 -93.05 -92.76 0.16 Allowed 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 42.1 m-20 -152.74 23.71 0.59 Allowed 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.3 mp -82.49 14.84 2.81 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 117.916 -1.514 . . . . 0.0 114.1 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -88.18 -42.7 12.15 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.3 -1.36 . . . . 0.0 109.967 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' R' ' 35' ' ' HIS . 2.0 mm? -27.56 -59.69 0.21 Allowed Pre-proline 0 N--CA 1.5 2.059 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.39 -76.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 120.427 0.751 . . . . 0.0 112.584 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.726 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.736 -1.185 . . . . 0.0 110.316 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.609 ' C ' HD13 ' R' ' 39' ' ' LEU . 2.2 tm? -46.79 -63.22 1.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.409 -1.316 . . . . 0.0 107.968 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -46.1 -36.68 6.04 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.705 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.56 -18.46 2.87 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.47 25.65 10.13 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.591 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.04 13.42 2.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -43.3 150.26 0.51 Allowed Pre-proline 0 N--CA 1.491 1.604 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -48.13 -30.78 15.09 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.05 1.167 . . . . 0.0 111.876 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -56.58 19.38 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.814 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.02 -45.79 66.47 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -39.81 -57.54 1.54 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.706 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 49' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' R' ' 51' ' ' LEU . 97.3 mt-10 -59.56 -61.19 2.8 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.516 -0.874 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.83 -11.14 0.05 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.353 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' R' ' 49' ' ' GLU . 0.1 OUTLIER -78.76 -70.52 0.49 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.055 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.79 -26.63 11.15 Favored Glycine 0 N--CA 1.483 1.805 0 C-N-CA 119.259 -1.448 . . . . 0.0 110.565 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 53' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.0 OUTLIER -70.06 -50.37 41.76 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.788 -1.165 . . . . 0.0 110.011 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.21 -33.29 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -68.26 0.18 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.25 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' R' ' 57' ' ' ILE . 61.6 t -34.16 -56.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.425 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 59' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' R' ' 62' ' ' LEU . 73.3 mm-40 -65.01 -67.2 0.46 Allowed 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 60' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.5 mm-40 -33.57 -42.11 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.55 -45.16 91.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.534 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' R' ' 59' ' ' GLU . 7.2 tt -43.04 -46.68 5.67 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.619 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -94.65 -11.94 28.31 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.399 -0.921 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.62 -15.59 73.41 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.512 -1.328 . . . . 0.0 110.701 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.04 -31.01 67.35 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.803 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 26.9 mtm -82.05 -17.46 46.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.731 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 67' ' ' SER . . . . . 0.672 ' OG ' HD12 ' R' ' 71' ' ' LEU . 24.2 m -103.4 164.62 11.53 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.501 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -92.54 -80.48 0.37 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.334 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -131.07 -33.4 1.53 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.072 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.09 -60.45 2.46 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.055 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 71' ' ' LEU . . . . . 0.672 HD12 ' OG ' ' R' ' 67' ' ' SER . 13.5 mt -78.08 57.2 1.75 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.31 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 72' ' ' LYS . . . . . 0.405 ' H ' ' H ' ' R' ' 73' ' ' ASN . 12.7 tttm -165.76 -8.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 73' ' ' ASN . . . . . 0.405 ' H ' ' H ' ' R' ' 72' ' ' LYS . 0.5 OUTLIER -131.22 -11.03 3.69 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.693 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -146.51 77.25 1.47 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 mt -117.97 14.13 14.09 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.24 69.02 0.63 Allowed Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.91 -79.3 0.09 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 78' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' R' ' 80' ' ' ALA . . . -162.36 45.59 0.35 Allowed Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.544 -1.312 . . . . 0.0 110.112 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.85 -3.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 80' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' R' ' 78' ' ' GLY . . . -64.49 -30.72 71.75 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 81' ' ' THR . . . . . 0.42 ' H ' HG23 ' R' ' 81' ' ' THR . 12.3 p -81.83 -21.62 37.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -90.24 -52.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.656 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 16.9 m -56.39 -76.61 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -52.94 -99.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.494 -0.882 . . . . 0.0 111.249 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.35 89.29 0.01 OUTLIER Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.459 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 160.72 27.13 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.116 -0.633 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -144.62 71.74 1.32 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.271 -0.972 . . . . 0.0 111.689 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -12.21 60.43 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.973 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 89' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' R' ' 89' ' ' LEU . 0.1 OUTLIER -68.39 -68.92 0.36 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.664 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -93.03 -35.81 13.05 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.396 -0.921 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.5 64.36 1.87 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.882 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.6 59.91 0.84 Allowed Pre-proline 0 C--N 1.302 -1.478 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -58.66 -20.13 49.05 Favored 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.114 1.21 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 94' ' ' VAL . . . . . 0.408 HG23 ' H ' ' R' ' 94' ' ' VAL . 0.0 OUTLIER -56.13 -14.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.04 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.99 -23.65 62.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.033 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.48 ' C ' ' N ' ' R' ' 98' ' ' GLN . 23.1 tp -82.73 -45.38 14.48 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.642 -0.823 . . . . 0.0 109.839 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -49.93 -18.52 0.53 Allowed 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.135 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.48 ' N ' ' C ' ' R' ' 96' ' ' LEU . 89.6 mt-30 -52.29 -53.4 44.51 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.547 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 30.4 t90 -95.43 -55.08 3.16 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.771 -1.172 . . . . 0.0 111.52 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tp -45.79 -44.67 14.22 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.43 -2.58 3.37 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.706 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.6 -22.63 11.87 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.82 -34.44 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.493 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -44.99 15.23 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' R' ' 105' ' ' LEU . 1.1 mm? -57.82 -68.99 0.19 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -159.4 128.1 5.17 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.819 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 116.381 -1.771 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.958 0.408 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -162.77 88.41 1.33 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.43 123.07 11.47 Favored 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 121.011 1.14 . . . . 0.0 111.871 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -68.3 163.9 21.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.138 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 16.5 m -148.64 -15.39 0.32 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.456 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.06 70.18 1.29 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.3 142.74 7.15 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.472 -0.891 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.77 -166.71 0.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.91 76.5 0.79 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.64 77.8 4.31 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.782 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -92.2 147.81 22.64 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 15' ' ' ARG . . . . . 0.5 ' C ' ' H ' ' S' ' 17' ' ' GLN . 57.7 mtp85 -72.99 -72.49 0.25 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.245 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.559 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER 53.26 5.43 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.384 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 17' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' S' ' 15' ' ' ARG . 43.0 tt0 -87.02 -45.7 10.51 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.915 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' S' ' 20' ' ' LEU . 8.7 pt-20 -66.4 -36.66 83.38 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.349 -0.94 . . . . 0.0 112.009 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' S' ' 19' ' ' TRP . 25.3 t-105 -58.88 -3.33 0.32 Allowed 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.533 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' S' ' 18' ' ' GLU . 20.6 mt -114.26 -40.67 3.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.147 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.79 95.67 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.285 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -72.62 -61.64 1.73 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.623 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.518 HG23 ' N ' ' S' ' 24' ' ' ASP . 33.0 m -42.3 -42.76 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 119.4 -0.92 . . . . 0.0 111.819 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.518 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.7 OUTLIER -51.72 -37.18 49.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.71 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -80.37 -24.62 39.65 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.713 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -72.89 -43.08 62.9 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -50.66 -49.36 57.33 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -64.32 -45.59 87.25 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -44.94 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.191 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' S' ' 30' ' ' TYR . 13.0 tt0 -9.5 -69.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.038 1.461 . . . . 0.0 113.668 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' S' ' 34' ' ' LEU . 19.0 m-20 -84.17 38.69 0.67 Allowed 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.1 t70 32.91 28.61 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.365 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.7 OUTLIER -88.87 15.7 8.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.452 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 46.8 p-80 -99.33 -6.87 27.14 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.45 HD21 ' HE1' ' R' ' 19' ' ' TRP . 2.1 mt -54.17 -47.78 96.26 Favored Pre-proline 0 C--N 1.3 -1.584 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' S' ' 40' ' ' ASN . 1.8 Cg_endo -66.71 -61.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 120.318 0.679 . . . . 0.0 111.228 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.667 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.6 -38.84 56.4 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.521 -1.271 . . . . 0.0 108.42 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 23.1 tp -58.95 -31.08 68.39 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.129 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 40' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' S' ' 37' ' ' PRO . 0.0 OUTLIER -81.79 -8.62 59.71 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.929 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 41' ' ' LEU . . . . . 0.459 HD23 HD22 ' R' ' 96' ' ' LEU . 0.2 OUTLIER -62.74 -46.15 89.38 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.589 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 2.4 tpt -105.91 39.23 1.82 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.91 ' O ' HD12 ' S' ' 43' ' ' LEU . 0.3 OUTLIER -67.82 -0.36 4.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.129 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.456 ' C ' ' O ' ' S' ' 43' ' ' LEU . 0.7 OUTLIER -36.94 155.38 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.611 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -50.43 -12.87 0.58 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 120.899 1.066 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' S' ' 44' ' ' THR . 0.1 OUTLIER -66.78 -65.41 0.68 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.038 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.86 -40.05 72.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.845 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -56.9 -48.04 79.14 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.676 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 49' ' ' GLU . . . . . 0.404 ' O ' ' OG1' ' S' ' 53' ' ' THR . 11.7 mt-10 -61.43 -4.01 1.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.749 -0.781 . . . . 0.0 111.268 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -114.16 -40.96 3.58 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.55 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.2 tm? -47.73 -76.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.403 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.99 -41.21 44.91 Favored Glycine 0 N--CA 1.482 1.742 0 C-N-CA 119.252 -1.452 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 53' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -69.94 -19.33 63.38 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.68 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' S' ' 50' ' ' ALA . 28.3 ttm180 -79.0 -30.35 44.23 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.171 -1.011 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.457 HG13 ' H ' ' S' ' 55' ' ' VAL . 0.7 OUTLIER -83.35 -28.13 7.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.158 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.34 -61.8 2.36 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.341 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.523 HG22 HG23 ' S' ' 82' ' ' ILE . 0.5 OUTLIER -38.95 -72.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.025 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.747 HG13 HD11 ' S' ' 100' ' ' LEU . 60.4 t -37.7 -64.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.93 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.76 10.81 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 60' ' ' GLU . . . . . 0.557 ' OE1' ' ND2' ' S' ' 73' ' ' ASN . 37.1 mm-40 -116.14 -38.67 3.56 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.681 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.23 -36.51 22.69 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.868 -1.133 . . . . 0.0 111.51 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -83.1 -25.03 32.37 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.549 -1.26 . . . . 0.0 110.814 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 5.38 47.22 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' S' ' 65' ' ' GLU . . . -63.81 -12.9 49.97 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.495 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' S' ' 64' ' ' GLY . 8.4 pt-20 31.28 41.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.115 0.483 . . . . 0.0 111.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.96 55.92 7.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.547 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 53.2 p -86.44 154.59 21.04 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.576 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.31 -60.46 2.12 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 69' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' S' ' 70' ' ' GLU . 35.1 mtp180 -128.79 -98.78 0.36 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.99 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 70' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' S' ' 69' ' ' ARG . 4.0 mm-40 37.82 55.68 1.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.734 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 71' ' ' LEU . . . . . 0.468 ' HA ' HD22 ' S' ' 71' ' ' LEU . 0.2 OUTLIER -116.37 -32.85 5.14 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.151 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 72' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' S' ' 74' ' ' GLU . 14.7 mttm -102.62 -5.07 24.27 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.546 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 73' ' ' ASN . . . . . 0.557 ' ND2' ' OE1' ' S' ' 60' ' ' GLU . 11.9 p30 17.8 38.98 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.6 1.187 . . . . 0.0 113.293 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 74' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' S' ' 72' ' ' LYS . 6.5 mt-10 41.81 55.74 3.59 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.566 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -74.35 -50.58 18.12 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.97 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.88 -64.91 0.34 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -65.35 0.92 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.422 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.53 -156.06 23.36 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.609 -1.281 . . . . 0.0 110.769 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pt -78.08 9.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.06 -15.98 62.56 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 20.4 p -122.41 15.74 10.47 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.253 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.523 HG23 HG22 ' S' ' 57' ' ' ILE . 37.7 mt -126.79 -59.08 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.208 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.438 ' O ' ' O ' ' S' ' 84' ' ' ARG . 89.8 m -97.73 -80.83 0.44 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.414 -0.915 . . . . 0.0 111.962 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' S' ' 83' ' ' THR . 22.4 mmt-85 -45.57 -102.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.009 -0.677 . . . . 0.0 112.205 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.12 -175.44 0.14 Allowed Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.019 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 60.2 m -73.3 104.93 4.49 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -172.37 143.24 1.4 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.287 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 88' ' ' SER . . . . . 0.476 ' C ' ' H ' ' S' ' 90' ' ' LYS . 1.0 OUTLIER -88.47 129.39 35.45 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.236 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.701 HD23 ' H ' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -70.1 14.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.548 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 90' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' S' ' 88' ' ' SER . 8.1 mttm -69.16 -61.6 1.73 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.97 81.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.904 -0.719 . . . . 0.0 110.192 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.576 ' HB3' ' HD3' ' S' ' 93' ' ' PRO . . . -108.51 -42.36 0.12 Allowed Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 4.0 Cg_exo -66.68 -31.02 41.16 Favored 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.254 1.303 . . . . 0.0 112.429 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 94' ' ' VAL . . . . . 0.471 ' H ' HG23 ' S' ' 94' ' ' VAL . 2.0 t -55.93 -8.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.978 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 95' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' S' ' 93' ' ' PRO . 2.9 mt-10 -99.89 -17.1 17.77 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.494 HD11 HD13 ' S' ' 100' ' ' LEU . 29.0 tp -83.84 -39.16 20.27 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -54.19 -31.74 53.75 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.32 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -41.84 -66.19 0.37 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.696 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' R' ' 29' ' ' ALA . 34.9 t90 -86.48 -54.69 4.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 118.736 -1.186 . . . . 0.0 113.368 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.747 HD11 HG13 ' S' ' 58' ' ' VAL . 4.1 tp -36.19 -58.82 0.66 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -49.62 -26.73 3.86 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.525 -1.27 . . . . 0.0 111.785 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -83.36 -28.33 29.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.987 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 1.1 p -91.5 -35.94 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.386 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 104' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 0.1 OUTLIER -83.87 -49.71 8.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.748 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.84 6.61 2.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.325 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp 46.79 -138.53 0.63 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.673 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 116.327 -1.797 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.778 0.323 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -147.13 63.2 7.93 Favored Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.526 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.73 102.87 0.31 Allowed 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.403 1.402 . . . . 0.0 111.236 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 7' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' R' ' 7' ' ' TYR . 0.8 OUTLIER -66.13 135.15 54.17 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -152.75 15.82 0.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.696 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.1 95.95 2.81 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.78 -19.65 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.708 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtm -67.02 -46.48 74.33 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.802 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.03 -153.47 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.788 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.71 178.39 6.76 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.7 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.11 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.636 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -149.62 80.45 1.39 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.752 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -164.6 38.85 0.08 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -84.12 -74.2 0.39 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.281 -0.967 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' R' ' 20' ' ' LEU . 2.2 mt-10 -51.1 -32.95 24.09 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.657 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 49.1 t-105 -57.61 -1.34 0.09 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' R' ' 18' ' ' GLU . 81.7 mt -119.99 -64.82 1.22 Allowed 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.925 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -59.67 -29.73 68.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -89.29 -50.37 6.17 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.509 -1.276 . . . . 0.0 112.143 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.37 -30.86 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 117.717 -1.593 . . . . 0.0 108.736 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.32 -49.44 67.04 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 118.766 -1.173 . . . . 0.0 109.241 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 25' ' ' LEU . . . . . 0.719 ' N ' HD12 ' R' ' 25' ' ' LEU . 8.2 mp -61.51 -31.82 71.84 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -53.27 -55.67 22.74 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.217 -1.393 . . . . 0.0 109.457 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -59.82 -29.81 68.51 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.033 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -60.93 -43.55 98.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.425 -1.31 . . . . 0.0 109.418 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.464 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -59.73 -53.9 52.63 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' R' ' 32' ' ' ASN . 11.7 m-85 -45.01 -71.4 0.08 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.583 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' R' ' 30' ' ' TYR . 2.1 tp60 8.69 -69.15 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.872 2.608 . . . . 0.0 110.968 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.674 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.8 OUTLIER -91.63 -90.02 0.17 Allowed 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 0.3 OUTLIER -153.43 21.47 0.55 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' S' ' 99' ' ' TRP . 4.0 mm? -81.99 12.09 4.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 117.123 -1.831 . . . . 0.0 113.167 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.507 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 2.2 p-80 -77.24 -52.23 9.57 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 117.154 -1.818 . . . . 0.0 110.418 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.507 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 3.8 mt -32.12 -57.46 0.44 Allowed Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.85 -72.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 119.224 0.759 . . . . 0.0 112.094 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.714 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -39.83 59.47 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.556 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.9 tp -60.37 -41.46 93.77 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.61 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -23.69 67.38 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' R' ' 41' ' ' LEU . 0.2 OUTLIER -51.69 -55.45 19.47 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 118.431 -1.307 . . . . 0.0 109.094 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 5.0 ttp -106.28 55.75 0.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.818 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -86.79 9.6 18.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.464 ' C ' ' O ' ' R' ' 43' ' ' LEU . 77.8 p -34.01 147.14 0.12 Allowed Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.564 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.05 -31.7 36.07 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.406 1.404 . . . . 0.0 111.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -38.41 76.95 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.196 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 10.4 tp10 -77.17 -56.31 4.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 48' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' R' ' 50' ' ' ALA . 13.5 ttp180 -50.27 -52.25 37.89 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.457 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -50.25 -16.45 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 50' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' R' ' 48' ' ' ARG . . . -97.35 -46.62 6.02 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.508 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.409 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 5.6 tt -46.5 -60.77 2.15 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.099 -1.04 . . . . 0.0 110.64 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.41 -58.03 4.14 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 53' ' ' THR . . . . . 0.555 ' O ' ' N ' ' R' ' 55' ' ' VAL . 53.2 m -56.58 -68.72 0.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.811 -0.756 . . . . 0.0 112.23 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 54' ' ' ARG . . . . . 0.56 ' HA ' HD11 ' R' ' 57' ' ' ILE . 37.8 ttm105 -40.0 -19.28 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.441 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' R' ' 53' ' ' THR . 2.3 t -96.53 -38.07 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 119.716 -0.794 . . . . 0.0 112.602 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 56' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' R' ' 57' ' ' ILE . 38.4 mtt85 -64.19 -52.2 60.07 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.141 -1.023 . . . . 0.0 112.519 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' R' ' 54' ' ' ARG . 0.3 OUTLIER -44.97 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.693 HG21 HD21 ' S' ' 38' ' ' LEU . 17.0 t -34.33 -52.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 124.194 0.934 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.0 -76.8 0.05 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.336 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -51.38 -11.58 0.12 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.269 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' R' ' 57' ' ' ILE . 12.6 mt -77.2 -61.43 1.99 Allowed 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.572 -1.251 . . . . 0.0 111.566 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -77.66 4.6 11.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 63' ' ' ARG . . . . . 0.409 ' C ' ' H ' ' R' ' 65' ' ' GLU . 4.5 ttt180 -80.98 16.69 1.4 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.18 22.05 3.88 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.111 -1.519 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 65' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' R' ' 63' ' ' ARG . 1.8 pt-20 -71.48 1.0 7.06 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.018 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 17.5 mmm -92.44 -73.57 0.55 Allowed 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.19 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.71 151.71 39.31 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.019 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -68.94 -17.95 64.02 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.217 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -74.5 -37.87 63.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.432 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -81.0 18.18 1.08 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 119.564 -0.855 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.3 95.62 3.22 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.305 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt 46.79 43.92 13.61 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.781 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -83.8 -85.5 0.13 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.339 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 171.28 -16.74 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.849 -0.741 . . . . 0.0 111.185 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.71 23.77 4.53 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.541 -0.864 . . . . 0.0 112.133 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 37.59 0.02 OUTLIER Glycine 0 N--CA 1.491 2.308 0 C-N-CA 118.901 -1.618 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.36 -31.13 0.2 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.43 70.01 1.27 Allowed Glycine 0 N--CA 1.489 2.179 0 C-N-CA 119.469 -1.348 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.51 -14.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.86 -51.37 13.12 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -15.61 61.46 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.575 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' R' ' 83' ' ' THR . 0.9 OUTLIER -115.65 30.05 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 83' ' ' THR . . . . . 0.442 ' C ' ' O ' ' R' ' 82' ' ' ILE . 7.2 m -32.26 -55.7 0.32 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.855 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.89 -62.52 1.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.217 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.9 75.05 0.25 Allowed Glycine 0 N--CA 1.489 2.213 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.477 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 13.6 m -151.27 123.52 8.29 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.379 -0.928 . . . . 0.0 110.803 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 87' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.3 OUTLIER -165.46 86.14 0.38 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.604 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 88' ' ' SER . . . . . 0.407 ' O ' ' O ' ' R' ' 87' ' ' ASN . 1.9 t 61.74 122.12 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.65 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 89' ' ' LEU . . . . . 0.983 ' H ' HD23 ' R' ' 89' ' ' LEU . 1.7 pt? -113.49 -2.84 13.79 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -94.27 0.72 55.81 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.228 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.88 64.02 0.13 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.321 -1.352 . . . . 0.0 112.401 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 92' ' ' ALA . . . . . 0.708 ' HB3' ' HD3' ' R' ' 93' ' ' PRO . . . -158.46 -53.79 0.01 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 C-N-CA 118.639 -1.224 . . . . 0.0 112.086 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' R' ' 92' ' ' ALA . 10.2 Cg_endo -75.69 -34.52 3.22 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 120.422 0.748 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.34 -19.28 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.64 -16.39 24.36 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.649 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.604 HD11 HD13 ' R' ' 100' ' ' LEU . 30.1 tp -87.14 -43.26 12.39 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -20.4 1.36 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' R' ' 96' ' ' LEU . 27.6 mt-30 -51.75 -61.66 2.12 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.523 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.607 ' CH2' HG21 ' R' ' 103' ' ' VAL . 40.7 t90 -88.21 -50.95 6.04 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 118.613 -1.235 . . . . 0.0 112.213 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.604 HD13 HD11 ' R' ' 96' ' ' LEU . 2.1 tp -41.72 -38.59 1.48 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.56 -3.94 1.71 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 102' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' R' ' 100' ' ' LEU . 21.7 mt-10 -113.1 -28.33 7.7 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.352 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.607 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.6 p -85.04 -28.01 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.964 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.68 -11.8 10.95 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.622 -0.831 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER -112.65 -62.75 1.53 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -92.85 67.23 4.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 116.335 -1.793 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 4' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' S' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.972 0.415 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 5' ' ' SER . . . . . 0.416 ' C ' ' H ' ' S' ' 7' ' ' TYR . 5.1 m -170.13 68.13 0.56 Allowed Pre-proline 0 N--CA 1.487 1.407 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -58.56 -4.8 2.0 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 121.557 1.504 . . . . 0.0 111.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 7' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' S' ' 5' ' ' SER . 60.1 m-85 -91.91 -108.05 0.1 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.022 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 37.6 m -98.29 108.63 21.37 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 178.2 0.21 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.437 -0.905 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . 45.98 85.72 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.19 145.61 46.16 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.542 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.87 21.72 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.427 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -159.73 -8.3 0.06 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.444 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -114.72 124.23 51.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -142.61 153.5 43.54 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.402 ' H ' ' H ' ' S' ' 17' ' ' GLN . 0.1 OUTLIER -170.34 -10.45 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 17' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' S' ' 16' ' ' HIS . 29.7 mt-30 -46.66 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' S' ' 20' ' ' LEU . 0.9 OUTLIER -44.5 -64.76 0.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.536 0.684 . . . . 0.0 111.851 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.424 ' O ' HG21 ' S' ' 23' ' ' VAL . 68.2 t-105 -42.67 -12.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.465 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' S' ' 18' ' ' GLU . 78.9 mt -116.81 -67.66 0.98 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.792 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -45.8 -47.1 15.77 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.481 ' C ' ' N ' ' S' ' 24' ' ' ASP . 32.4 m-85 -83.38 -49.17 9.6 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.141 -1.424 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.424 HG21 ' O ' ' S' ' 19' ' ' TRP . 22.1 t -48.82 -16.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.692 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.2 OUTLIER -71.94 -40.82 68.45 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.628 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.54 -27.51 66.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.209 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -35.56 64.91 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.121 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -47.93 58.31 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.863 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -44.17 -47.44 9.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -67.74 -46.01 73.34 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.667 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.741 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.7 m-85 -51.69 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' S' ' 33' ' ' ASP . 37.9 tt0 -16.65 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.315 1.635 . . . . 0.0 112.899 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.609 ' O ' ' N ' ' S' ' 34' ' ' LEU . 25.0 m120 -74.5 32.47 0.09 Allowed 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.741 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.9 OUTLIER 32.1 27.19 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.049 0.843 . . . . 0.0 111.695 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.1 mp -97.14 16.18 20.46 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.002 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 6.5 p-80 -91.24 -7.04 52.37 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 0.7 OUTLIER -46.14 -52.94 24.78 Favored Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.276 -1.37 . . . . 0.0 111.979 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.2 Cg_exo -60.58 -69.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.946 0 N-CA-C 110.023 -0.799 . . . . 0.0 110.023 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.693 HD21 HG21 ' R' ' 58' ' ' VAL . 0.5 OUTLIER -42.23 -56.72 2.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.946 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.442 HD21 ' CZ2' ' R' ' 19' ' ' TRP . 40.3 tp -43.76 -47.74 7.99 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.55 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -14.23 59.4 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 55.0 tp -42.87 -56.2 3.36 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.753 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 3.4 tpt -152.76 64.99 0.79 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.604 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.8 pp -67.71 -9.1 40.74 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.175 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.428 ' O ' ' O ' ' S' ' 43' ' ' LEU . 2.2 m 59.06 133.39 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.467 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 45' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' S' ' 46' ' ' ASP . 2.2 Cg_endo -58.2 -52.25 6.1 Favored 'Trans proline' 0 C--O 1.217 -0.529 0 C-N-CA 120.523 0.816 . . . . 0.0 111.3 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' S' ' 45' ' ' PRO . 0.0 OUTLIER -40.49 -42.65 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.206 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' S' ' 51' ' ' LEU . 6.2 tp10 -69.05 -46.97 66.52 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.855 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -37.55 -46.98 0.89 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.41 -53.55 13.69 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.36 16.5 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -68.31 -68.51 0.39 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.09 -50.56 33.18 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 118.932 -1.604 . . . . 0.0 109.539 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 53' ' ' THR . . . . . 0.631 HG23 HH12 ' S' ' 56' ' ' ARG . 0.2 OUTLIER -52.46 -38.05 58.46 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.858 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.59 -54.92 32.39 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.209 -0.997 . . . . 0.0 111.164 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.424 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.7 OUTLIER -50.41 -29.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.257 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.631 HH12 HG23 ' S' ' 53' ' ' THR . 22.0 ttm180 -59.24 -54.53 45.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.784 -1.166 . . . . 0.0 111.854 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.51 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.1 pt -45.86 -46.32 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 118.599 -1.24 . . . . 0.0 110.582 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.934 HG13 HD11 ' S' ' 100' ' ' LEU . 21.4 t -50.79 -59.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -53.12 -55.44 24.04 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.02 -43.82 66.83 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.088 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.85 -51.98 52.74 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.398 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 62' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' S' ' 64' ' ' GLY . 4.2 tp -50.52 -34.4 25.17 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.489 -1.284 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -67.17 9.22 0.23 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.149 -1.02 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -79.83 -1.96 87.8 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.404 -1.379 . . . . 0.0 110.581 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.09 -48.17 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.247 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.04 3.84 21.8 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.319 -0.952 . . . . 0.0 111.935 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.69 152.74 44.15 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 68' ' ' GLN . . . . . 0.404 ' HG2' ' HE ' ' S' ' 69' ' ' ARG . 5.9 tt0 -80.23 -76.16 0.23 Allowed 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 69' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' S' ' 68' ' ' GLN . 19.9 ptp180 -126.26 28.27 6.06 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.48 7.58 28.67 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -46.8 28.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.639 -1.224 . . . . 0.0 109.831 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.06 75.02 1.22 Allowed 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -92.36 15.56 13.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.647 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -124.75 49.7 1.81 Allowed 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.788 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.27 -2.42 3.03 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.27 -58.86 1.19 Allowed Glycine 0 N--CA 1.492 2.395 0 C-N-CA 119.367 -1.397 . . . . 0.0 110.751 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.43 159.09 16.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.447 -0.901 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.06 -5.37 36.23 Favored Glycine 0 N--CA 1.493 2.473 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.649 ' H ' HD12 ' S' ' 79' ' ' ILE . 0.7 OUTLIER -79.48 18.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 119.434 -0.906 . . . . 0.0 110.685 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.81 9.57 0.65 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.196 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 81' ' ' THR . . . . . 0.423 ' H ' ' C ' ' S' ' 79' ' ' ILE . 6.9 m -126.24 -60.83 1.25 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -47.81 -73.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.453 ' O ' ' C ' ' S' ' 84' ' ' ARG . 0.2 OUTLIER -100.68 29.26 4.59 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.579 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -29.9 -46.95 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 85' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' S' ' 86' ' ' SER . . . -179.47 -10.45 0.02 OUTLIER Glycine 0 N--CA 1.491 2.334 0 C-N-CA 118.928 -1.606 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 86' ' ' SER . . . . . 0.406 ' H ' ' H ' ' S' ' 85' ' ' GLY . 2.0 p -153.99 128.95 9.53 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -75.62 -123.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.274 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.71 166.55 24.29 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.791 HD23 ' H ' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -55.54 -57.58 11.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.908 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -100.12 -68.25 0.82 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.264 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.88 -57.01 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.095 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.64 153.62 5.14 Favored Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.54 -171.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 120.878 1.052 . . . . 0.0 111.75 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 94' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' S' ' 96' ' ' LEU . 2.4 t -129.02 -50.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -0.43 6.22 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.157 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.661 ' C ' HD13 ' S' ' 96' ' ' LEU . 1.7 tm? -77.37 -57.06 4.03 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 97' ' ' ARG . . . . . 0.585 ' N ' HD13 ' S' ' 96' ' ' LEU . 6.5 mtm-85 -48.63 -35.85 14.59 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.171 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.61 -70.24 0.15 Allowed 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.985 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.579 ' HB2' HD12 ' R' ' 34' ' ' LEU . 26.8 t90 -50.13 -68.02 0.21 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 117.572 -1.651 . . . . 0.0 110.106 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.934 HD11 HG13 ' S' ' 58' ' ' VAL . 4.2 tp -28.43 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.915 -1.039 . . . . 0.0 112.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 101' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.9 tt0 -70.3 -57.77 4.5 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -50.08 -26.74 4.72 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.412 HG12 ' H ' ' S' ' 103' ' ' VAL . 2.6 p -89.68 -34.09 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 118.535 -1.266 . . . . 0.0 113.304 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.84 -36.12 16.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.561 -1.256 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.74 -51.61 37.72 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 118.42 -1.312 . . . . 0.0 110.26 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 37.5 tttt 47.37 -146.86 0.21 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.17 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 116.37 -1.776 . . . . 0.0 110.793 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.943 0.401 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -154.08 76.65 5.77 Favored Pre-proline 0 N--CA 1.49 1.529 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -66.78 -8.96 22.92 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.454 1.436 . . . . 0.0 112.02 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.29 -178.63 7.31 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.213 -0.995 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 5.1 p -154.02 172.45 17.47 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.701 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.43 63.45 1.35 Allowed 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.96 97.95 3.76 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.825 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 27.5 ttp -84.39 135.56 34.23 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.908 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.6 108.08 19.65 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.96 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.65 -3.01 52.39 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 14' ' ' GLN . . . . . 0.409 ' HG3' ' H ' ' R' ' 14' ' ' GLN . 25.7 mt-30 -51.44 -33.88 32.72 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.69 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 15' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' R' ' 16' ' ' HIS . 1.0 OUTLIER -131.02 109.74 10.73 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.116 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 16' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' R' ' 16' ' ' HIS . 1.9 t60 169.07 -18.77 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.365 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' H ' ' R' ' 17' ' ' GLN . 0.3 OUTLIER -96.73 10.78 37.74 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.762 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -130.42 -68.26 0.7 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.434 ' CZ3' ' HG ' ' S' ' 51' ' ' LEU . 69.0 t-105 -41.43 -30.89 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.01 -57.47 2.02 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.997 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -52.08 -29.29 20.82 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.544 ' CG ' HG22 ' S' ' 55' ' ' VAL . 73.1 t80 -85.08 -57.66 3.0 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 117.742 -1.583 . . . . 0.0 112.904 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.58 -27.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 C-N-CA 117.832 -1.547 . . . . 0.0 109.971 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -36.26 77.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.128 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.34 -45.53 59.48 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.065 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tp -44.69 -47.92 10.63 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.268 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.65 72.94 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.168 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -47.25 85.87 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' S' ' 99' ' ' TRP . . . -67.49 -50.96 56.6 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 118.419 -1.313 . . . . 0.0 110.189 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -43.98 -53.48 6.19 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.121 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' R' ' 30' ' ' TYR . 66.3 tt0 -3.83 -66.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 111.681 -2.509 . . . . 0.0 111.023 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 3.0 t-20 -101.46 -92.37 0.31 Allowed 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 116.936 -1.905 . . . . 0.0 108.505 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 12.8 m-20 -132.31 15.42 4.57 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.696 HD23 ' N ' ' R' ' 34' ' ' LEU . 0.2 OUTLIER -81.88 4.45 22.36 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.69 -55.07 10.98 Favored 'General case' 0 C--N 1.287 -2.15 0 C-N-CA 117.048 -1.861 . . . . 0.0 109.924 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.487 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.1 tp -38.56 -56.72 2.15 Favored Pre-proline 0 N--CA 1.505 2.281 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.73 -59.91 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 CA-C-N 120.101 1.072 . . . . 0.0 111.699 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.687 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -76.45 -49.32 16.93 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.516 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' R' ' 35' ' ' HIS . 30.1 tp -43.67 -36.97 2.39 Favored 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.801 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' R' ' 41' ' ' LEU . 20.3 t-20 -74.14 -29.21 61.69 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.439 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.452 HD13 ' O ' ' R' ' 41' ' ' LEU . 0.1 OUTLIER -39.03 -37.36 0.36 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.551 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -116.26 62.36 0.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.93 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -85.32 -5.88 59.28 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.377 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -34.94 161.32 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.786 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.65 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.21 -18.61 18.57 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.259 1.306 . . . . 0.0 111.681 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -68.9 -37.53 79.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.925 -1.11 . . . . 0.0 111.333 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.8 -44.67 12.28 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.664 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 48' ' ' ARG . . . . . 0.507 HH21 ' NH2' ' S' ' 15' ' ' ARG . 54.5 ttm-85 -51.7 -43.37 62.75 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.059 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -72.7 -35.13 67.56 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.51 48.4 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.389 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.14 -57.76 3.57 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 118.643 -1.223 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.26 -48.49 32.98 Favored Glycine 0 N--CA 1.484 1.886 0 C-N-CA 119.237 -1.458 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 53' ' ' THR . . . . . 0.4 ' O ' HG22 ' R' ' 57' ' ' ILE . 92.8 m -64.76 -44.42 90.14 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.677 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -65.01 -16.1 63.06 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.511 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.58 -33.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 121.832 0.825 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -61.52 -59.28 5.47 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.548 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' R' ' 61' ' ' LEU . 0.4 OUTLIER -46.88 -68.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.117 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -36.86 -59.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 119.443 -0.903 . . . . 0.0 112.734 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -62.69 -34.74 77.76 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.643 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -89.74 -11.18 43.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.411 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 61' ' ' LEU . . . . . 0.809 ' O ' HD12 ' R' ' 61' ' ' LEU . 0.1 OUTLIER -81.79 -36.17 28.74 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 118.108 -1.437 . . . . 0.0 110.2 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' R' ' 64' ' ' GLY . 6.4 tp -84.17 -26.44 28.8 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.144 -1.822 . . . . 0.0 110.231 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.48 2.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.139 -1.024 . . . . 0.0 110.777 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 64' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -72.23 -13.41 76.67 Favored Glycine 0 N--CA 1.484 1.855 0 C-N-CA 119.126 -1.512 . . . . 0.0 109.544 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.68 -19.97 4.77 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.171 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 66' ' ' MET . . . . . 0.528 ' O ' ' N ' ' R' ' 68' ' ' GLN . 4.7 tpp -100.77 44.2 1.02 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.679 0.752 . . . . 0.0 109.03 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.667 -1.151 . . . . 0.0 112.829 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 68' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' R' ' 66' ' ' MET . 25.5 tt0 -63.65 -57.59 9.59 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.58 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -80.26 12.8 2.68 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.513 -0.875 . . . . 0.0 111.57 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 48.94 42.06 19.86 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.34 65.78 2.3 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -166.41 -21.95 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.921 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -118.35 -58.79 1.95 Allowed 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 74' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' R' ' 76' ' ' GLY . 24.9 mt-10 -70.61 -68.36 0.43 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.401 -0.919 . . . . 0.0 111.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.45 23.28 0.12 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.77 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 76' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' R' ' 74' ' ' GLU . . . -89.72 -21.17 40.95 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.447 -1.359 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' R' ' 76' ' ' GLY . . . 60.4 12.93 3.72 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.272 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.02 113.78 0.39 Allowed Glycine 0 N--CA 1.486 1.979 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.229 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.503 ' H ' HD12 ' R' ' 79' ' ' ILE . 2.9 mp -98.51 -27.28 3.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.606 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.95 5.33 19.46 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.066 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 23.2 p -100.28 -44.13 6.04 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.02 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.86 -16.55 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 83' ' ' THR . . . . . 0.41 ' O ' ' C ' ' R' ' 84' ' ' ARG . 0.2 OUTLIER -124.67 23.53 8.01 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.636 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 84' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' R' ' 83' ' ' THR . 0.2 OUTLIER -35.71 -66.3 0.21 Allowed 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.346 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.39 95.43 0.13 Allowed Glycine 0 N--CA 1.493 2.484 0 C-N-CA 118.742 -1.694 . . . . 0.0 111.257 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 91.5 p -89.55 14.46 11.45 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.58 151.49 45.9 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.237 -0.985 . . . . 0.0 111.335 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.95 177.45 7.83 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.904 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.72 -12.63 60.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.486 -1.286 . . . . 0.0 111.766 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -100.84 -39.19 7.92 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.454 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 62.94 2.43 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.5 69.63 13.81 Favored Pre-proline 0 N--CA 1.491 1.603 0 C-N-CA 119.006 -1.078 . . . . 0.0 112.655 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' R' ' 95' ' ' GLU . 2.7 Cg_exo -64.86 -14.88 47.48 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.714 1.609 . . . . 0.0 110.437 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.16 -7.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 95' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' R' ' 93' ' ' PRO . 65.8 mt-10 -84.09 -27.91 27.91 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.965 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.639 HD22 HD12 ' R' ' 100' ' ' LEU . 0.9 OUTLIER -72.14 -44.59 62.89 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.279 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -50.96 -24.53 3.73 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.776 -0.769 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.75 -65.63 0.64 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.019 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.497 ' HE1' ' CB ' ' S' ' 32' ' ' ASN . 35.2 t90 -65.17 -56.17 14.41 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.078 -1.449 . . . . 0.0 111.239 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.639 HD12 HD22 ' R' ' 96' ' ' LEU . 0.5 OUTLIER -39.36 -44.2 1.29 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.317 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.97 -33.76 76.07 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 118.296 -1.361 . . . . 0.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.51 -41.37 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.424 -0.91 . . . . 0.0 113.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.449 ' O ' ' OG ' ' R' ' 107' ' ' SER . 2.0 p -82.78 -41.99 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' R' ' 107' ' ' SER . 1.1 mp -79.23 -48.7 13.72 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 117.977 -1.489 . . . . 0.0 112.551 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.16 -43.56 87.49 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.904 -0.718 . . . . 0.0 112.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -74.47 -24.92 59.11 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' R' R ' 107' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' R' ' 103' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 116.424 -1.751 . . . . 0.0 111.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.65 160.34 2.84 Favored Pre-proline 0 C--N 1.303 -1.447 0 C-N-CA 118.684 -1.206 . . . . 0.0 109.55 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -52.44 117.13 3.34 Favored 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.19 1.26 . . . . 0.0 111.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.71 -25.91 0.06 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.236 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -72.53 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.129 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.76 126.57 4.49 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.175 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.95 147.95 23.14 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.19 64.7 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.973 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.22 13.12 0.3 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.787 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -154.04 1.91 0.24 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.25 -0.98 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.76 49.84 0.86 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.085 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 15' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' S' ' 15' ' ' ARG . 0.0 OUTLIER -84.26 100.24 11.09 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.789 -1.164 . . . . 0.0 110.974 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -160.6 58.62 0.33 Allowed 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.778 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -94.85 -28.01 15.44 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.6 mt-10 -99.21 -44.97 6.05 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.938 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.411 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 61.2 t-105 -44.92 -15.91 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.786 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' S' ' 22' ' ' PHE . 19.5 mt -114.08 -70.29 0.81 Allowed 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.578 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 21' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' S' ' 20' ' ' LEU . 8.2 ttt180 -34.07 -30.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' S' ' 20' ' ' LEU . 66.5 m-85 -101.19 -44.98 5.51 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.31 -18.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 117.13 -1.828 . . . . 0.0 109.655 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -33.23 73.71 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.62 -36.27 80.5 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.545 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 26' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' S' ' 26' ' ' LEU . 3.2 tp -48.72 -43.88 37.76 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.484 -1.287 . . . . 0.0 109.551 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.54 -44.7 77.01 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.96 -53.96 17.58 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.861 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.36 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.133 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' C ' ' O ' ' S' ' 29' ' ' ALA . 23.7 m-85 -12.93 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.325 -1.35 . . . . 0.0 111.279 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' S' ' 29' ' ' ALA . 31.0 tt0 -69.19 -39.22 78.82 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' S' ' 29' ' ' ALA . 6.7 m-80 -100.77 -19.3 16.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.951 ' O ' ' N ' ' S' ' 35' ' ' HIS . 32.0 t0 -104.37 15.64 27.81 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 1.032 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 16.03 29.05 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.569 -179.443 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.951 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.7 OUTLIER 9.85 12.67 0.0 OUTLIER 'General case' 0 C--O 1.182 -2.465 0 C-N-CA 129.884 3.274 . . . . 0.0 116.708 -178.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.694 ' N ' ' O ' ' S' ' 34' ' ' LEU . 1.9 mm? -73.05 -51.54 6.06 Favored Pre-proline 0 C--N 1.283 -2.288 0 C-N-CA 115.493 -2.483 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.9 Cg_exo -59.17 -54.44 2.66 Favored 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 120.939 1.092 . . . . 0.0 114.802 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.626 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -79.15 -44.72 21.4 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.329 -1.349 . . . . 0.0 111.801 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.569 ' HB3' ' O ' ' S' ' 35' ' ' HIS . 46.3 tp -50.46 -36.0 31.51 Favored 'General case' 0 N--CA 1.516 2.845 0 C-N-CA 116.609 -2.036 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 40' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' S' ' 41' ' ' LEU . 0.6 OUTLIER -59.65 -53.1 61.96 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.628 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -29.3 -45.29 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.64 179.779 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 42' ' ' MET . . . . . 0.446 ' C ' ' H ' ' S' ' 44' ' ' THR . 58.9 mmm -82.64 40.91 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.546 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' S' ' 40' ' ' ASN . 1.0 OUTLIER -68.16 11.17 0.17 Allowed 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.153 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.446 ' H ' ' C ' ' S' ' 42' ' ' MET . 20.1 p -52.09 152.49 5.65 Favored Pre-proline 0 N--CA 1.495 1.782 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -58.49 -40.59 73.14 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 121.068 1.179 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.9 80.1 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.674 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.43 -58.39 7.8 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 48' ' ' ARG . . . . . 0.405 ' CZ ' HH22 ' R' ' 15' ' ' ARG . 4.9 mtm180 -52.09 -47.82 65.04 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.017 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.81 -22.84 64.56 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.678 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.32 -12.19 24.79 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.023 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.596 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.9 tm? -81.37 -69.93 0.57 Allowed 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.73 -38.99 10.35 Favored Glycine 0 N--CA 1.483 1.807 0 C-N-CA 119.487 -1.34 . . . . 0.0 110.059 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -66.66 -48.62 68.79 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -50.86 -20.97 1.47 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' R' ' 22' ' ' PHE . 41.5 t -88.35 -32.81 6.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.239 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.44 -27.81 66.51 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.425 -0.91 . . . . 0.0 112.982 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -72.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 49.3 t -48.66 -63.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -46.43 -68.41 0.2 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.419 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 60' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' S' ' 61' ' ' LEU . 55.0 tt0 -48.25 -50.5 29.44 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.757 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' S' ' 60' ' ' GLU . 3.6 mt -42.76 -49.63 5.68 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.52 -39.38 76.41 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.869 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 63' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' S' ' 65' ' ' GLU . 0.4 OUTLIER -81.58 -3.23 52.74 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.076 -1.05 . . . . 0.0 109.108 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.17 -1.19 3.83 Favored Glycine 0 N--CA 1.489 2.206 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 65' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' S' ' 63' ' ' ARG . 24.8 tt0 -80.67 -52.72 7.24 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 66' ' ' MET . . . . . 0.455 ' O ' ' N ' ' S' ' 68' ' ' GLN . 2.1 tpt -71.47 -36.46 71.18 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m -62.48 79.98 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.485 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 68' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' S' ' 66' ' ' MET . 11.8 tt0 -64.45 -54.42 32.92 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.805 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -110.69 -3.13 15.99 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.249 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -95.21 12.36 29.13 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.264 -0.975 . . . . 0.0 111.198 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.17 129.82 40.42 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 49.3 mttt 49.25 18.68 0.26 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.343 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.56 -94.96 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.031 -1.067 . . . . 0.0 109.116 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 74' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' S' ' 76' ' ' GLY . 15.1 pt-20 -98.84 -32.63 11.25 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.544 -0.862 . . . . 0.0 109.375 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' S' ' 75' ' ' LEU . 18.3 mt -59.19 -3.84 0.44 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 76' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' S' ' 74' ' ' GLU . . . -157.6 43.17 0.51 Allowed Glycine 0 N--CA 1.485 1.912 0 C-N-CA 119.086 -1.53 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.62 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.521 -0.871 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 78' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' S' ' 76' ' ' GLY . . . 126.92 123.15 2.62 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.406 HD13 HG21 ' S' ' 79' ' ' ILE . 0.7 OUTLIER -117.68 -5.75 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -3.41 0.6 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.071 -1.052 . . . . 0.0 111.584 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 1.1 t -126.06 -20.69 4.48 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 119.671 -0.812 . . . . 0.0 112.7 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 86.4 mt -82.96 -72.07 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.662 ' O ' HG22 ' S' ' 83' ' ' THR . 52.6 m -107.33 24.58 12.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' S' ' 83' ' ' THR . 2.2 ptt85 -9.37 -68.47 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.293 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.9 -118.77 0.84 Allowed Glycine 0 N--CA 1.491 2.353 0 C-N-CA 118.933 -1.603 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 1.1 p 67.26 147.02 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.62 116.56 30.08 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.704 -0.799 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.46 -171.57 3.88 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.951 ' H ' HD13 ' S' ' 89' ' ' LEU . 0.0 OUTLIER -70.2 -79.34 0.06 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.862 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 90' ' ' LYS . . . . . 0.621 ' H ' ' CD2' ' S' ' 89' ' ' LEU . 32.8 mmtm -95.2 -78.57 0.45 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.551 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.24 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.144 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.07 159.33 47.61 Favored Pre-proline 0 N--CA 1.487 1.392 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.95 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -61.9 -168.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.984 1.123 . . . . 0.0 111.376 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -111.79 -19.08 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.182 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.4 4.18 36.62 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.431 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tt -82.82 -56.73 3.65 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -29.76 4.97 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.926 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -55.31 -64.56 0.8 Allowed 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.103 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' S' ' 100' ' ' LEU . 33.6 t90 -63.82 -65.05 0.73 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.552 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.1 tp -26.45 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 114.496 -1.229 . . . . 0.0 113.843 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' S' ' 99' ' ' TRP . 4.0 mt-10 -63.39 -51.4 66.0 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.427 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' S' ' 99' ' ' TRP . 45.2 mt-10 -63.87 -20.2 65.65 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.3 p -96.84 -49.48 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.391 -1.324 . . . . 0.0 112.723 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 104' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' S' ' 106' ' ' LYS . 95.9 mt -84.39 -69.42 0.65 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.874 -1.131 . . . . 0.0 111.885 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tp -44.91 -23.21 0.12 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 106' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' S' ' 104' ' ' LEU . 0.4 OUTLIER -122.6 127.53 49.51 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.884 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 116.387 -1.768 . . . . 0.0 111.481 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t 48.33 68.2 3.75 Favored Pre-proline 0 N--CA 1.488 1.442 0 C-N-CA 119.472 -0.891 . . . . 0.0 111.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 6' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' R' ' 7' ' ' TYR . 2.1 Cg_endo -65.7 112.55 2.22 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 121.677 1.585 . . . . 0.0 111.32 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 7' ' ' TYR . . . . . 0.406 ' CB ' ' O ' ' R' ' 6' ' ' PRO . 1.5 t80 68.99 177.64 0.26 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m 52.86 72.71 0.4 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.62 132.62 14.28 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.321 -0.951 . . . . 0.0 110.789 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.83 143.07 2.25 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.718 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 1.9 ttt -159.76 -11.17 0.06 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . 55.83 -172.04 0.07 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.766 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 50.79 25.36 2.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.32 92.65 1.06 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -157.67 28.24 0.28 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.289 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 16' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' R' ' 18' ' ' GLU . 11.6 m80 -145.04 -45.35 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.399 -0.921 . . . . 0.0 111.426 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -72.61 25.13 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.392 -0.923 . . . . 0.0 111.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' R' ' 16' ' ' HIS . 8.3 pt-20 -166.72 -34.03 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.703 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -52.18 -26.83 12.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.98 -53.92 2.65 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -38.8 -48.73 1.56 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.727 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.94 -49.36 9.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.203 -0.999 . . . . 0.0 112.326 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.19 -30.91 13.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.747 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -29.38 70.0 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.284 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.26 -26.61 58.96 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.58 -69.61 0.11 Allowed 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.914 -1.114 . . . . 0.0 111.265 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -21.72 11.49 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.027 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.54 56.09 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.501 -1.679 . . . . 0.0 108.704 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.41 -49.35 72.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.926 -1.509 . . . . 0.0 109.04 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.8 m-85 -46.73 -54.96 8.61 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 117.855 -1.538 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.5 tt0 -4.19 -56.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 126.852 2.595 . . . . 0.0 112.574 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.9 t-20 -109.02 -93.06 0.42 Allowed 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.316 -1.754 . . . . 0.0 109.035 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.467 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 66.6 m-20 -134.21 17.41 3.75 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.15 7.08 33.45 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 116.66 -2.016 . . . . 0.0 115.958 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.86 -69.98 0.31 Allowed 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 117.674 -1.61 . . . . 0.0 110.76 179.534 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.508 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 2.8 mm? -28.18 -64.73 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -57.16 -68.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 120.499 0.799 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' S' ' 96' ' ' LEU . 0.4 OUTLIER -58.28 -64.18 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.11 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' R' ' 35' ' ' HIS . 29.4 tp -27.45 -40.27 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 124.419 1.074 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' R' ' 38' ' ' LEU . 1.9 t30 -63.11 -52.2 63.52 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.581 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 38' ' ' LEU . 5.1 tp -55.11 -8.58 0.3 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.32 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 42' ' ' MET . . . . . 0.522 ' O ' ' NE ' ' S' ' 54' ' ' ARG . 3.7 mtt -104.47 -53.78 2.65 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.544 -0.863 . . . . 0.0 111.701 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.464 HD23 ' OE1' ' R' ' 47' ' ' GLU . 8.5 mt -77.69 -55.99 4.89 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.807 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' R' ' 43' ' ' LEU . 0.4 OUTLIER 75.18 152.87 0.14 Allowed Pre-proline 0 N--CA 1.495 1.804 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.669 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 45' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' R' ' 48' ' ' ARG . 6.0 Cg_exo -55.14 -55.46 3.15 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.331 1.354 . . . . 0.0 112.49 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 46' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' R' ' 45' ' ' PRO . 15.8 t70 -40.04 -33.08 0.2 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.044 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 47' ' ' GLU . . . . . 0.464 ' OE1' HD23 ' R' ' 43' ' ' LEU . 31.8 tt0 -94.68 -24.32 17.2 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.682 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 48' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' R' ' 45' ' ' PRO . 44.6 ttt-85 -52.04 -45.3 64.62 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -45.25 -21.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.934 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' R' ' 48' ' ' ARG . . . -91.01 -46.24 8.26 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.428 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 4.9 tt -43.08 -49.04 6.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.484 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.69 -56.76 14.36 Favored Glycine 0 N--CA 1.486 1.986 0 C-N-CA 119.117 -1.516 . . . . 0.0 109.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -43.61 -37.02 2.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.83 -39.9 91.28 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.184 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' R' ' 59' ' ' GLU . 0.3 OUTLIER -62.56 -22.35 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.099 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -62.64 -64.12 1.02 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.639 HG23 ' H ' ' R' ' 58' ' ' VAL . 0.8 OUTLIER -50.81 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.594 -1.242 . . . . 0.0 112.444 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.639 ' H ' HG23 ' R' ' 57' ' ' ILE . 0.4 OUTLIER -40.48 -47.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.607 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 59' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' R' ' 62' ' ' LEU . 5.3 mm-40 -63.1 -64.4 0.92 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.593 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.4 tp10 -35.62 -32.49 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.319 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 61' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' R' ' 59' ' ' GLU . 83.4 mt -75.82 -42.48 49.67 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.171 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' R' ' 59' ' ' GLU . 3.7 tt -44.23 -32.21 1.21 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.218 -0.993 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -45.09 -66.4 0.4 Allowed 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.94 -88.61 1.38 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -170.13 -43.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.55 12.04 1.01 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.707 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t 44.49 69.53 0.42 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.481 -0.887 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.72 -31.93 73.38 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -84.26 -62.69 1.5 Allowed 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 70' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' R' ' 72' ' ' LYS . 41.7 mt-10 -89.98 42.16 1.08 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -46.95 95.38 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.249 -0.98 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' R' ' 70' ' ' GLU . 49.0 mttt 50.48 83.21 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.511 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -37.3 21.56 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.344 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 55.43 39.96 31.24 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.189 -1.005 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -69.56 0.31 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.18 64.54 0.08 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.867 -1.158 . . . . 0.0 110.498 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.53 -20.46 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.75 -14.36 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 79' ' ' ILE . . . . . 0.501 ' O ' HG22 ' R' ' 83' ' ' THR . 1.0 OUTLIER -94.67 -21.95 5.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.367 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.7 -9.37 0.12 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 81' ' ' THR . . . . . 0.445 ' N ' ' C ' ' R' ' 79' ' ' ILE . 0.7 OUTLIER -103.56 -71.86 0.72 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.107 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.423 ' H ' HG23 ' R' ' 82' ' ' ILE . 1.7 pp -47.33 -22.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.262 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 83' ' ' THR . . . . . 0.501 HG22 ' O ' ' R' ' 79' ' ' ILE . 14.6 t -86.7 21.93 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 84' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' R' ' 83' ' ' THR . 7.9 ttt180 -44.28 -94.03 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.47 -77.24 1.24 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.288 -1.434 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 9.4 m 47.52 -103.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.366 -0.934 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -55.68 168.92 0.37 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.45 -0.9 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 1.6 p -131.29 -31.67 1.62 Allowed 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.255 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 89' ' ' LEU . . . . . 0.517 HD23 ' N ' ' R' ' 89' ' ' LEU . 1.0 OUTLIER -90.22 -57.1 2.96 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.097 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.75 -48.39 81.35 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.368 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.17 -64.09 0.89 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 45.58 72.08 1.35 Allowed Pre-proline 0 C--N 1.304 -1.395 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.52 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -64.01 -15.28 48.32 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.263 1.308 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.98 -12.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.339 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.48 -10.47 46.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -93.04 -43.62 8.8 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.101 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -51.47 -17.52 0.82 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.562 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' R' ' 96' ' ' LEU . 10.7 mm100 -54.88 -59.62 4.48 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.613 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 35.4 t90 -86.99 -55.65 3.73 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.612 -1.235 . . . . 0.0 111.846 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' R' ' 100' ' ' LEU . 12.6 tp -40.66 -31.62 0.17 Allowed 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.54 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.33 -32.22 72.19 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -80.2 -24.62 40.14 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.867 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -34.85 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.498 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.57 -55.61 3.43 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' R' ' 107' ' ' SER . 1.3 tp -73.02 4.11 4.65 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 49.42 -91.56 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.456 -0.897 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' R' R ' 107' ' ' SER . . . . . 0.495 ' N ' ' O ' ' R' ' 105' ' ' LEU . 31.2 t . . . . . 0 C--N 1.302 -1.463 0 CA-C-O 116.302 -1.809 . . . . 0.0 110.671 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 45.66 69.01 2.83 Favored Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.9 120.14 7.27 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 121.59 1.527 . . . . 0.0 111.333 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -152.95 147.21 25.69 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 5.9 t 57.26 44.69 21.59 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.701 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 9' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' S' ' 10' ' ' ALA . . . -60.43 -164.54 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' S' ' 9' ' ' ALA . . . 67.41 -2.12 1.37 Allowed 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 11' ' ' MET . . . . . 0.405 ' H ' ' C ' ' S' ' 9' ' ' ALA . 2.9 ptp -169.07 -175.39 2.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.358 -0.937 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . 56.97 -171.6 0.09 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 55.56 41.18 30.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -142.65 -45.63 0.32 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.723 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 15' ' ' ARG . . . . . 0.507 ' C ' ' H ' ' S' ' 17' ' ' GLN . 76.9 mtt180 -65.8 -86.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 16' ' ' HIS . . . . . 0.427 ' CB ' ' O ' ' S' ' 15' ' ' ARG . 1.0 OUTLIER 69.78 -18.98 0.2 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.616 -0.833 . . . . 0.0 111.488 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 17' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' S' ' 15' ' ' ARG . 1.7 mt-30 -61.54 -41.46 97.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.33 -43.2 74.17 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.428 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 66.6 t-105 -53.99 -24.79 17.99 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.232 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.19 -23.33 18.6 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.041 -1.064 . . . . 0.0 111.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.67 -62.39 1.65 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.786 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -45.19 -52.5 9.32 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.432 HG23 ' N ' ' S' ' 24' ' ' ASP . 35.9 m -59.92 -39.28 79.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.958 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.432 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.1 OUTLIER -52.57 -28.22 20.04 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.86 -1.136 . . . . 0.0 110.781 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.56 -47.48 13.03 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.666 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mp -42.03 -62.5 0.91 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.717 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.54 -63.72 0.89 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.786 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -45.54 -48.42 14.3 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.613 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -78.09 -33.38 50.76 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.627 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.863 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.3 OUTLIER -50.29 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.954 -179.711 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.653 ' C ' ' H ' ' S' ' 33' ' ' ASP . 22.6 tt0 -17.75 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.778 0 O-C-N 125.597 1.81 . . . . 0.0 110.825 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.823 ' O ' ' N ' ' S' ' 34' ' ' LEU . 17.1 m120 -71.34 32.87 0.05 OUTLIER 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.107 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.863 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.4 OUTLIER 18.76 26.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 124.57 1.169 . . . . 0.0 113.405 -178.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.823 ' N ' ' O ' ' S' ' 32' ' ' ASN . 6.6 mt -85.14 9.49 14.79 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.462 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -80.25 -19.65 46.35 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.44 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.4 mt -46.25 -52.1 30.12 Favored Pre-proline 0 N--CA 1.495 1.808 0 C-N-CA 118.459 -1.297 . . . . 0.0 113.999 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.2 Cg_exo -56.28 -66.02 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 120.442 0.761 . . . . 0.0 111.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.669 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -56.26 -38.83 71.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 24.9 tp -53.68 -38.99 64.74 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.121 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -20.66 62.18 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.85 -58.3 6.85 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.997 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 42' ' ' MET . . . . . 0.424 ' O ' ' C ' ' S' ' 43' ' ' LEU . 7.1 mmt -87.56 43.24 1.09 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.78 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.5 OUTLIER -38.06 -54.52 1.33 Allowed 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.123 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.478 ' O ' ' O ' ' S' ' 43' ' ' LEU . 58.8 m 39.95 98.16 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -52.59 -39.23 75.96 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.374 0.716 . . . . 0.0 111.623 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' S' ' 46' ' ' ASP . 0.0 OUTLIER -58.04 -21.93 47.62 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.964 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' OE2' ' R' ' 47' ' ' GLU . 9.1 tp10 -93.11 -35.41 13.21 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -59.16 -56.45 22.0 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.72 -23.85 65.31 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.274 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.62 -22.93 23.23 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.34 -59.22 4.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.977 -1.089 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.1 82.14 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -12.9 4.86 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.042 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' R' ' 42' ' ' MET . 2.3 tpp180 -90.68 -63.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.671 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -17.68 3.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.668 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' S' ' 57' ' ' ILE . 29.6 ttt85 -64.48 -59.07 4.76 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.303 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.498 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.7 OUTLIER -41.07 -46.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.498 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 97.1 t -51.21 -64.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.522 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 59' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' S' ' 59' ' ' GLU . 10.6 tt0 -66.76 -12.95 60.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.868 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -95.16 -19.85 19.73 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.874 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.667 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.5 OUTLIER -86.77 -30.45 21.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.587 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 tp -88.57 -35.9 16.64 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.616 -1.234 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 63' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' S' ' 68' ' ' GLN . 7.4 ttt180 -80.01 13.55 2.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.587 ' C ' ' H ' ' S' ' 66' ' ' MET . . . -48.68 -59.76 6.42 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.543 -1.313 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 65' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' S' ' 65' ' ' GLU . 17.7 tt0 54.96 -2.05 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.721 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 66' ' ' MET . . . . . 0.587 ' H ' ' C ' ' S' ' 64' ' ' GLY . 1.7 mtp 53.05 74.5 0.29 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.23 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 67' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' S' ' 66' ' ' MET . 0.6 OUTLIER 162.06 -65.27 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.869 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 68' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' S' ' 63' ' ' ARG . 2.8 tt0 -72.01 -20.57 61.69 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.084 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 69' ' ' ARG . . . . . 0.599 HH11 HD11 ' S' ' 79' ' ' ILE . 28.8 ttt180 -52.0 -7.3 0.05 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.256 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 70' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' S' ' 68' ' ' GLN . 2.4 tt0 -42.65 -21.57 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 71' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' S' ' 69' ' ' ARG . 5.9 mt -75.77 66.54 2.07 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 72' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' S' ' 73' ' ' ASN . 16.2 pttp -141.75 -39.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 73' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' S' ' 72' ' ' LYS . 12.6 t30 -105.25 -23.66 12.84 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -56.03 -57.5 11.88 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.461 HD23 ' H ' ' S' ' 75' ' ' LEU . 0.4 OUTLIER -69.2 -9.98 55.54 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.371 -0.931 . . . . 0.0 110.772 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.46 82.88 1.13 Allowed Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.352 -1.404 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.41 -29.93 0.09 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.346 -0.941 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 140.14 0.06 OUTLIER Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 79' ' ' ILE . . . . . 0.599 HD11 HH11 ' S' ' 69' ' ' ARG . 2.4 tp -68.84 -21.34 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.89 -5.84 33.76 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.825 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 51.5 m -96.77 -69.77 0.74 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.434 HD13 HG21 ' S' ' 82' ' ' ILE . 8.7 pt -54.31 -11.79 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 119.437 -0.905 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 37.3 m -96.72 -73.27 0.61 Allowed 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 84' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' S' ' 86' ' ' SER . 7.9 ttt180 -50.1 -56.77 9.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.376 -0.929 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 46.91 -92.51 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 C-N-CA 119.266 -1.445 . . . . 0.0 110.345 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 86' ' ' SER . . . . . 0.522 ' N ' ' O ' ' S' ' 84' ' ' ARG . 0.7 OUTLIER -146.87 -9.06 0.46 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.797 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.77 133.7 20.21 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.75 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 88' ' ' SER . . . . . 0.42 ' C ' ' H ' ' S' ' 90' ' ' LYS . 19.7 p -78.48 -171.57 2.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.26 22.88 0.3 Allowed 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.744 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 90' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' S' ' 88' ' ' SER . 5.8 mttt -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.22 -77.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.309 -0.956 . . . . 0.0 110.501 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . 42.17 69.24 2.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.813 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -64.98 -164.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.566 1.511 . . . . 0.0 111.802 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 t -110.46 -12.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.063 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.08 -11.01 39.97 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.852 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -39.26 91.06 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.418 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -45.81 -70.19 0.11 Allowed 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.274 -0.97 . . . . 0.0 111.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.542 ' O ' ' N ' ' S' ' 101' ' ' GLU . 31.7 t90 -64.22 -59.94 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.94 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.584 HD11 HD12 ' S' ' 104' ' ' LEU . 13.1 tp -32.01 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.757 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 101' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.6 mt-10 -74.46 -41.72 60.32 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.9 mm-40 -70.84 -29.8 66.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.825 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.407 ' H ' HG12 ' S' ' 103' ' ' VAL . 0.9 OUTLIER -82.99 -41.55 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 118.448 -1.301 . . . . 0.0 112.001 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 104' ' ' LEU . . . . . 0.584 HD12 HD11 ' S' ' 100' ' ' LEU . 1.8 mt -96.1 -60.85 1.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 111.51 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 105' ' ' LEU . . . . . 0.482 HD22 ' N ' ' S' ' 105' ' ' LEU . 3.8 mm? -73.0 18.05 0.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.439 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 106' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' S' ' 104' ' ' LEU . 20.5 tttt -42.64 135.67 2.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.304 -1.373 0 CA-C-O 116.359 -1.781 . . . . 0.0 110.839 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 164.32 39.86 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.427 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -57.13 118.38 5.23 Favored 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.365 1.377 . . . . 0.0 111.459 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -73.32 -52.4 14.03 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.713 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 53.2 p -58.96 175.49 0.28 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.301 -0.96 . . . . 0.0 110.555 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.8 -69.34 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.269 -0.973 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.81 125.73 5.34 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 11' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' R' ' 12' ' ' ALA . 20.2 ttm 60.96 -140.81 0.52 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 12' ' ' ALA . . . . . 0.423 ' H ' ' CG ' ' R' ' 11' ' ' MET . . . -55.25 -172.91 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -166.17 41.0 0.06 Allowed 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.95 108.03 3.58 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -129.53 -55.21 1.16 Allowed 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -148.5 43.37 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.462 -0.895 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.77 -21.0 18.41 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 18' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' R' ' 18' ' ' GLU . 1.8 pm0 -112.33 -32.23 6.58 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.435 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 67.9 t-105 -48.19 -23.22 0.8 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.61 -64.33 1.3 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.725 -0.79 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -40.97 -44.78 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.552 ' CD2' HG12 ' S' ' 55' ' ' VAL . 39.6 t80 -91.32 -47.08 7.68 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.549 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.731 HG12 ' OH ' ' S' ' 30' ' ' TYR . 10.7 t -51.6 -15.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 118.148 -1.421 . . . . 0.0 109.686 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 0.4 OUTLIER -85.26 -23.37 28.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.245 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.86 -19.81 36.78 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.327 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 26' ' ' LEU . . . . . 0.722 ' O ' HD12 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -65.02 -40.3 94.67 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.512 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.11 57.67 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.737 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -63.42 -44.78 93.63 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.012 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -64.44 -55.9 17.77 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.405 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -43.19 -53.67 4.92 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 118.756 -1.177 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' R' ' 30' ' ' TYR . 5.1 tt0 -5.61 -61.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 126.963 2.665 . . . . 0.0 111.295 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -102.9 -92.3 0.34 Allowed 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 117.111 -1.836 . . . . 0.0 108.395 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 48.4 m-20 -132.51 15.55 4.46 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.451 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.691 ' N ' HD22 ' R' ' 34' ' ' LEU . 3.2 mm? -86.98 9.09 20.6 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 116.578 -2.049 . . . . 0.0 116.077 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.2 p-80 -57.42 -50.86 71.66 Favored 'General case' 0 C--N 1.277 -2.56 0 C-N-CA 117.472 -1.691 . . . . 0.0 110.213 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.523 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 3.7 mt -37.68 -65.44 0.36 Allowed Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.9 Cg_endo -43.99 -85.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 120.917 1.078 . . . . 0.0 112.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.438 ' HG ' HD21 ' S' ' 96' ' ' LEU . 0.8 OUTLIER -44.89 -45.98 10.61 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.474 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 64.1 tp -53.19 -34.11 55.57 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.01 -45.04 82.99 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.727 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' R' ' 43' ' ' LEU . 4.3 mm? -45.0 -32.03 1.51 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.182 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 4.2 mtt -76.46 35.55 0.15 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.301 -0.959 . . . . 0.0 109.869 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' R' ' 41' ' ' LEU . 3.6 mt -80.8 5.95 14.46 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.539 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.09 160.35 0.35 Allowed Pre-proline 0 C--N 1.303 -1.415 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.834 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -53.69 -65.57 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.281 1.321 . . . . 0.0 111.751 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.28 -63.79 1.02 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.366 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -46.58 -47.02 19.88 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.66 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 48' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' S' ' 9' ' ' ALA . 11.8 ttp180 -51.29 -40.19 58.41 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.253 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.23 -2.0 47.03 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.54 -40.16 14.51 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.704 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 2.1 tt -51.54 -39.74 58.32 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.137 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 -38.92 95.59 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -65.69 -24.01 66.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -76.45 -31.36 57.78 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.371 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' S' ' 22' ' ' PHE . 9.6 t -77.95 -23.81 13.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.526 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' R' ' 57' ' ' ILE . 0.1 OUTLIER -59.06 -67.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.406 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -38.6 -75.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.861 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' R' ' 57' ' ' ILE . 84.5 t -35.84 -63.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 59' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' R' ' 62' ' ' LEU . 4.5 tp10 -52.95 -63.36 1.17 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 60' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' R' ' 59' ' ' GLU . 28.7 mt-10 -37.56 -46.13 0.81 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.381 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.25 -39.88 84.25 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' R' ' 64' ' ' GLY . 2.7 tt -47.58 -68.79 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 12.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 64' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -60.25 -70.52 0.99 Allowed Glycine 0 N--CA 1.489 2.228 0 C-N-CA 119.344 -1.408 . . . . 0.0 110.624 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.38 39.31 0.39 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 10.3 tpt -81.09 -64.09 1.26 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 67' ' ' SER . . . . . 0.499 ' OG ' ' N ' ' R' ' 68' ' ' GLN . 14.1 t -177.96 -104.69 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.714 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 68' ' ' GLN . . . . . 0.499 ' N ' ' OG ' ' R' ' 67' ' ' SER . 4.3 tt0 -75.08 -22.82 58.07 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -73.06 22.9 0.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.54 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 70' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' R' ' 68' ' ' GLN . 57.8 mt-10 -79.9 39.15 0.42 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.158 -1.017 . . . . 0.0 110.576 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tp -76.18 -31.66 58.62 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -90.13 27.68 1.57 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.444 -0.903 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -91.28 -75.67 0.47 Allowed 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.352 -0.939 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -164.72 24.59 0.06 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 75' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' R' ' 70' ' ' GLU . 1.1 mt -82.59 -51.94 7.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.1 96.32 0.19 Allowed Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.324 -1.417 . . . . 0.0 110.276 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.68 37.49 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.776 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.36 30.16 10.31 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pt -74.41 9.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.193 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -36.88 57.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.816 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.13 -30.55 63.69 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mt -84.79 -36.85 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 97.9 m -73.16 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -100.25 -88.81 0.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.494 -0.882 . . . . 0.0 111.199 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.9 -35.05 4.63 Favored Glycine 0 N--CA 1.492 2.376 0 C-N-CA 119.463 -1.351 . . . . 0.0 109.733 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.19 132.98 52.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.197 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -76.36 39.88 0.21 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.434 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -73.97 -151.45 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 25.4 tp -87.23 -69.03 0.71 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.123 -1.031 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 90' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' R' ' 92' ' ' ALA . 67.5 mttt -101.46 -72.53 0.68 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.386 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 42.89 18.65 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.012 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 92' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' R' ' 93' ' ' PRO . . . -80.58 163.63 55.52 Favored Pre-proline 0 N--CA 1.489 1.522 0 C-N-CA 118.906 -1.117 . . . . 0.0 110.538 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' R' ' 92' ' ' ALA . 3.7 Cg_endo -64.41 -27.61 62.81 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 121.584 1.523 . . . . 0.0 111.253 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.65 -15.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.202 -0.999 . . . . 0.0 109.716 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.63 -11.04 46.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.403 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -94.73 -42.05 8.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -47.89 -20.87 0.35 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.581 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' R' ' 96' ' ' LEU . 3.7 mt-30 -51.38 -54.32 27.75 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.726 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 41.7 t90 -95.2 -52.89 4.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.195 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' R' ' 102' ' ' GLU . 1.9 tp -45.09 -50.67 10.92 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.232 -0.895 . . . . 0.0 113.067 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.56 0.19 0.08 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.253 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 102' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' R' ' 100' ' ' LEU . 20.1 mt-10 -110.29 -33.68 6.57 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.469 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 p -95.31 -25.76 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 119.32 -0.952 . . . . 0.0 112.921 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -24.17 27.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.488 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.61 -40.41 75.27 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -85.09 48.39 1.56 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.786 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.832 0.348 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' S' S ' 5' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' S' ' 7' ' ' TYR . 0.0 OUTLIER -155.05 164.65 20.35 Favored Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 119.411 -0.916 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.32 167.09 2.84 Favored 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.205 1.27 . . . . 0.0 111.255 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 7' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' S' ' 5' ' ' SER . 2.9 m-85 -132.46 -7.03 3.3 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -59.55 141.26 55.26 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 9' ' ' ALA . . . . . 0.412 ' HB3' HH12 ' R' ' 48' ' ' ARG . . . -50.12 123.52 8.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.349 -0.94 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.51 -62.82 1.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.714 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.92 98.68 10.59 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.71 76.12 2.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.434 -0.906 . . . . 0.0 111.259 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.42 91.77 0.12 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.019 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -97.64 152.42 19.09 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.196 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -91.05 -175.57 4.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -137.29 19.02 2.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -90.84 -65.18 1.04 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.412 ' HB2' HG21 ' R' ' 55' ' ' VAL . 2.2 pt-20 -63.75 -35.12 79.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.124 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.704 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 64.8 t-105 -52.48 -68.21 0.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -36.8 84.15 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.259 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -50.25 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.144 -1.023 . . . . 0.0 112.002 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.598 ' HB3' HG22 ' R' ' 55' ' ' VAL . 3.2 t80 -57.89 -49.51 76.48 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.825 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.51 HG23 ' O ' ' S' ' 19' ' ' TRP . 40.8 t -41.06 -43.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.18 -24.41 65.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.353 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.46 -33.95 31.71 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.23 -50.69 49.04 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.833 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' S' ' 27' ' ' LYS . 1.4 pttt -68.76 -26.59 65.3 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.041 -1.064 . . . . 0.0 112.269 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -70.1 -32.83 71.07 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -81.05 -27.17 35.83 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.11 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.95 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.2 OUTLIER -60.43 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.726 -1.19 . . . . 0.0 112.385 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.733 ' C ' ' H ' ' S' ' 33' ' ' ASP . 3.7 pt20 -19.76 -46.46 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.063 0 O-C-N 125.868 1.98 . . . . 0.0 111.943 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.846 ' O ' ' N ' ' S' ' 34' ' ' LEU . 87.6 m-20 -78.78 26.91 0.23 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.95 ' N ' ' O ' ' S' ' 30' ' ' TYR 0.259 0.4 OUTLIER 12.56 23.93 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 112.713 -2.04 . . . . 0.0 115.564 -179.025 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.846 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.4 OUTLIER -102.88 3.72 36.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.445 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' S' ' 30' ' ' TYR . 44.5 p-80 -61.62 22.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.334 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.5 tp -68.44 -38.43 12.77 Favored Pre-proline 0 C--N 1.302 -1.484 0 C-N-CA 118.343 -1.343 . . . . 0.0 113.894 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 4.1 Cg_exo -63.83 -70.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.758 0.972 . . . . 0.0 110.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.5 OUTLIER -44.71 -48.0 10.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.696 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.21 -36.42 70.86 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.562 -1.255 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 40' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' S' ' 37' ' ' PRO . 18.6 t30 -74.29 -39.62 62.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.018 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.28 -48.34 6.73 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 42.36 0.48 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.402 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.7 mt -65.3 -81.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 118.882 -1.127 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.512 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 51.23 114.15 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.449 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.41 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -52.88 -23.53 21.28 Favored 'Trans proline' 0 C--N 1.326 -0.607 0 CA-C-N 118.993 0.676 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.76 -51.53 22.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 3.5 mm-40 -69.97 -43.77 70.82 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.598 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 48' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' S' ' 50' ' ' ALA . 24.6 ttp180 -51.56 -63.43 1.14 Allowed 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.49 -13.08 0.54 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -95.0 -25.97 16.27 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.0 -63.12 1.37 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.52 -39.37 37.12 Favored Glycine 0 N--CA 1.486 1.984 0 C-N-CA 119.651 -1.261 . . . . 0.0 110.186 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -58.89 -42.18 88.91 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -60.4 -60.69 3.41 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.659 -0.817 . . . . 0.0 111.348 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.552 HG12 ' CD2' ' R' ' 22' ' ' PHE . 0.7 OUTLIER -46.6 -28.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.574 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 56' ' ' ARG . . . . . 0.453 ' NH1' HG21 ' S' ' 81' ' ' THR . 5.8 ttt180 -55.88 -63.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.581 -0.847 . . . . 0.0 111.785 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.531 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.9 OUTLIER -40.59 -49.1 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.065 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.531 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 61.3 t -55.17 -65.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.209 -0.996 . . . . 0.0 112.125 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 0.21 26.2 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.76 -0.776 . . . . 0.0 113.039 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 60' ' ' GLU . . . . . 0.607 ' OE1' HD11 ' S' ' 82' ' ' ILE . 0.6 OUTLIER -89.93 -37.96 14.02 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 118.609 -1.236 . . . . 0.0 111.393 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.73 -29.37 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.709 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tp -87.72 -71.18 0.58 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 118.586 -1.246 . . . . 0.0 111.478 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -96.08 25.28 4.92 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.043 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.92 -92.87 2.28 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 119.678 -1.248 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' S' ' 66' ' ' MET . 20.5 tp10 -67.6 -49.52 62.67 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.652 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 66' ' ' MET . . . . . 0.459 ' CB ' ' O ' ' S' ' 65' ' ' GLU . 5.9 ttp 72.96 28.98 1.88 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.594 -0.842 . . . . 0.0 110.701 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.51 9.39 1.5 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.69 -64.63 0.89 Allowed 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -93.04 9.97 33.47 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 49.9 61.97 2.9 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 71' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' S' ' 73' ' ' ASN . 1.9 tp -103.86 -39.74 6.51 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 13.88 0.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 73' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' S' ' 71' ' ' LEU . 3.8 m-20 -83.23 22.61 0.97 Allowed 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.802 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.35 34.09 4.38 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.702 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -56.85 7.23 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.91 -62.69 0.02 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.16 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.15 178.3 7.25 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.606 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.36 -54.02 4.72 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 tp -56.53 -16.19 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.527 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.49 -33.44 63.72 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.376 -0.929 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 81' ' ' THR . . . . . 0.453 HG21 ' NH1' ' S' ' 56' ' ' ARG . 0.6 OUTLIER -95.18 -38.56 10.53 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.607 HD11 ' OE1' ' S' ' 60' ' ' GLU . 2.8 mt -77.57 8.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -56.27 -75.45 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.315 -0.954 . . . . 0.0 110.709 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.99 133.56 11.68 Favored Glycine 0 N--CA 1.488 2.165 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 3.9 p -169.37 -85.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.332 -0.947 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.77 -174.96 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 119.274 -0.971 . . . . 0.0 110.75 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.26 169.0 1.25 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.311 -0.956 . . . . 0.0 110.765 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.592 HD23 ' H ' ' S' ' 89' ' ' LEU . 0.2 OUTLIER -81.79 -26.53 34.33 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.602 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -112.69 25.52 11.38 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 91' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' S' ' 92' ' ' ALA . . . -104.9 -5.99 20.58 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.123 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' S' ' 93' ' ' PRO . . . 179.98 -52.44 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 118.491 -1.284 . . . . 0.0 113.204 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 5.9 Cg_exo -58.63 -19.39 45.16 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.685 0.924 . . . . 0.0 111.818 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.33 -16.44 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 118.215 -1.394 . . . . 0.0 108.751 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 95' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' S' ' 93' ' ' PRO . 1.9 mt-10 -87.08 -24.46 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.67 HD22 HD13 ' S' ' 100' ' ' LEU . 0.4 OUTLIER -66.25 -61.41 2.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.397 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 97' ' ' ARG . . . . . 0.666 ' CD ' ' H ' ' S' ' 97' ' ' ARG . 0.0 OUTLIER -41.4 -33.73 0.45 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.71 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -51.76 -60.62 2.96 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.019 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.563 ' HB2' HD12 ' R' ' 34' ' ' LEU . 52.7 t90 -75.9 -53.39 8.5 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 118.238 -1.385 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.67 HD13 HD22 ' S' ' 96' ' ' LEU . 3.8 tp -31.41 -61.4 0.21 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.006 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 101' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' S' ' 106' ' ' LYS . 16.5 tt0 -39.75 -38.49 0.65 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.479 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.8 mm-40 -79.77 -28.83 40.32 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.614 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 103' ' ' VAL . . . . . 0.547 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.6 OUTLIER -85.28 -38.15 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 118.415 -1.314 . . . . 0.0 112.37 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 104' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' S' ' 106' ' ' LYS . 2.8 mt -106.47 -80.33 0.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.183 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.34 -14.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 106' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' S' ' 104' ' ' LEU . 8.2 tttp 52.59 -165.73 0.07 Allowed 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.753 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 116.279 -1.819 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.994 0.426 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -147.25 72.91 12.02 Favored Pre-proline 0 N--CA 1.487 1.408 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.04 167.46 14.15 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.608 1.538 . . . . 0.0 111.826 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -48.63 162.94 0.09 Allowed 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -67.02 -72.46 0.16 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.7 46.97 0.1 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.03 105.61 0.29 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 43.2 mtt -84.34 80.66 9.13 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.509 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.89 21.76 0.05 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -95.47 172.99 7.74 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.585 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 14' ' ' GLN . . . . . 0.615 ' H ' ' CD ' ' R' ' 14' ' ' GLN . 1.2 mp0 -53.69 146.01 14.34 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 mmm-85 -65.09 177.37 1.04 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -159.64 -0.65 0.08 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.531 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -77.62 -62.63 1.6 Allowed 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.96 -38.24 67.52 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.43 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 74.1 t-105 -42.44 -32.59 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' R' ' 21' ' ' ARG . 33.3 mt -112.12 -67.57 0.99 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.053 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 21' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' R' ' 20' ' ' LEU . 1.8 ttt-85 -33.34 -44.34 0.13 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.924 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' R' ' 25' ' ' LEU . 0.5 OUTLIER -93.77 -57.52 2.53 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.997 -1.081 . . . . 0.0 112.333 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 23' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' R' ' 22' ' ' PHE . 42.4 t -40.82 -38.15 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.445 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 24' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' R' ' 25' ' ' LEU . 0.0 OUTLIER -62.09 -42.21 98.99 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.286 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 25' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' R' ' 22' ' ' PHE . 77.6 mt -53.67 -35.96 61.63 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.078 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 26' ' ' LEU . . . . . 0.445 HD23 ' OH ' ' S' ' 30' ' ' TYR . 5.8 tp -51.41 -30.57 19.66 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 117.893 -1.523 . . . . 0.0 108.187 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.93 60.47 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.872 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -49.01 78.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.244 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -62.04 -44.89 95.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.864 -1.135 . . . . 0.0 110.037 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.3 m-85 -47.92 -47.64 32.21 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 116.608 -2.037 . . . . 0.0 109.831 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' R' ' 30' ' ' TYR . 6.1 tt0 -4.0 -63.35 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.065 2.103 . . . . 0.0 110.647 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' R' ' 30' ' ' TYR . 11.6 t-20 -107.41 -94.56 0.38 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 81.9 m-20 -133.5 15.44 4.06 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -73.89 11.8 0.81 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 34.7 p-80 -88.87 -49.87 6.55 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.344 -1.343 . . . . 0.0 110.021 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.561 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.4 mt -42.65 -53.11 10.05 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 11.1 Cg_exo -50.91 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 120.429 0.753 . . . . 0.0 113.157 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.5 pp -62.98 -40.79 98.79 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.185 -1.406 . . . . 0.0 110.768 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 42.7 tp -43.72 -36.55 2.28 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.429 -1.308 . . . . 0.0 109.048 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 40' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' R' ' 41' ' ' LEU . 4.5 t30 -73.73 -30.66 62.95 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.536 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' R' ' 38' ' ' LEU . 47.4 tp -37.84 -35.03 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 81.6 mmm -126.91 55.1 1.58 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.719 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 43' ' ' LEU . . . . . 0.855 HD12 ' O ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -82.99 4.5 25.67 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 44' ' ' THR . . . . . 0.44 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.5 OUTLIER -39.3 161.11 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.328 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.12 -31.41 90.3 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 121.609 1.539 . . . . 0.0 111.914 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 46' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -59.24 -40.92 87.43 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.615 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 47' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' R' ' 46' ' ' ASP . 0.7 OUTLIER -88.4 -53.15 4.82 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.22 -0.992 . . . . 0.0 111.507 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -54.26 -23.85 16.51 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.654 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 49' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' R' ' 49' ' ' GLU . 7.0 tm-20 -85.58 -18.37 33.56 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.658 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.32 -25.52 16.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.073 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.29 -63.56 1.24 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.924 -1.111 . . . . 0.0 110.776 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.01 27.84 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.709 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -60.8 -42.25 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -68.38 -25.86 65.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.491 -0.883 . . . . 0.0 111.038 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.45 HG13 ' CD2' ' S' ' 22' ' ' PHE . 83.9 t -75.86 -29.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.106 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.31 28.11 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.443 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.536 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 1.6 pt -49.95 -53.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 C-N-CA 119.637 -0.825 . . . . 0.0 112.935 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.569 HG13 ' H ' ' R' ' 59' ' ' GLU . 1.6 p -54.72 -55.9 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.152 -1.419 . . . . 0.0 111.298 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 59' ' ' GLU . . . . . 0.569 ' H ' HG13 ' R' ' 58' ' ' VAL . 8.3 tt0 -49.98 -49.44 50.48 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.16 -49.95 52.13 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.292 -0.963 . . . . 0.0 111.67 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt -40.04 -36.81 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 tp -44.06 -58.79 2.63 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.958 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 63' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' R' ' 65' ' ' GLU . 0.0 OUTLIER -88.69 -12.65 41.75 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.75 -2.37 3.47 Favored Glycine 0 N--CA 1.49 2.278 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.223 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 65' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' R' ' 63' ' ' ARG . 35.2 tt0 -76.07 -42.5 47.29 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.45 60.44 0.94 Allowed 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.23 97.93 2.07 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.297 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.89 -64.27 0.89 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.55 19.67 4.43 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.428 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 53.23 86.47 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 119.018 -1.073 . . . . 0.0 110.639 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -91.5 -38.59 12.44 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -63.32 -3.39 1.92 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.224 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -94.57 -41.56 9.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.372 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.27 75.17 1.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.86 -52.62 4.65 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.379 -0.928 . . . . 0.0 110.71 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.83 -34.18 0.53 Allowed Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.504 -1.331 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.09 152.67 9.4 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.09 31.77 72.43 Favored Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 pt -94.04 -5.52 10.49 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.415 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.85 -57.21 3.13 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 81' ' ' THR . . . . . 0.442 ' H ' HG22 ' R' ' 81' ' ' THR . 0.2 OUTLIER -44.52 -37.16 3.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.626 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 82' ' ' ILE . . . . . 0.427 HD13 HG21 ' R' ' 82' ' ' ILE . 0.6 OUTLIER -79.16 -41.54 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.416 -0.914 . . . . 0.0 111.934 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -71.86 -5.63 35.86 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.547 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -44.75 -83.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.083 -1.047 . . . . 0.0 110.353 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.92 135.57 0.68 Allowed Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.36 -1.4 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.6 88.17 1.19 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.924 -0.711 . . . . 0.0 109.784 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 51.58 48.03 23.67 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.929 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 14.8 m -143.04 38.53 1.44 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.049 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.03 0.16 12.93 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -90.79 -71.73 0.61 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -163.83 49.35 0.13 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.986 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 92' ' ' ALA . . . . . 0.633 ' N ' ' CD ' ' R' ' 93' ' ' PRO . . . -105.76 -36.04 0.19 Allowed Pre-proline 0 C--N 1.304 -1.379 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' R' ' 92' ' ' ALA . 6.0 Cg_exo -64.97 -21.63 63.56 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 121.105 1.203 . . . . 0.0 112.09 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 94' ' ' VAL . . . . . 0.474 ' H ' HG13 ' R' ' 94' ' ' VAL . 0.9 OUTLIER -61.2 -7.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.217 -0.993 . . . . 0.0 110.291 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -88.0 -11.04 48.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.492 ' C ' ' N ' ' R' ' 98' ' ' GLN . 16.5 tp -95.62 -35.31 11.66 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 97' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' R' ' 96' ' ' LEU . 57.6 mtp180 -46.95 -22.98 0.38 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.266 -0.974 . . . . 0.0 108.376 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 98' ' ' GLN . . . . . 0.492 ' N ' ' C ' ' R' ' 96' ' ' LEU . 44.4 mm-40 -49.83 -65.67 0.52 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.41 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' R' ' 101' ' ' GLU . 36.0 t90 -82.57 -54.81 4.88 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.127 -1.429 . . . . 0.0 112.086 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' R' ' 99' ' ' TRP . 2.0 tp -39.06 -23.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 101' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' R' ' 99' ' ' TRP . 4.2 mt-10 -67.93 -57.25 6.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.791 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 102' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' R' ' 99' ' ' TRP . 0.0 OUTLIER -51.03 -20.72 1.49 Allowed 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.656 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' R' ' 101' ' ' GLU . 5.4 t -84.4 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.306 -0.958 . . . . 0.0 113.111 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' R' ' 105' ' ' LEU . 12.4 mt -93.03 -17.12 24.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.155 -1.018 . . . . 0.0 113.687 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' R' ' 101' ' ' GLU . 44.1 tp -44.84 -50.26 10.38 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.831 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -84.25 169.12 15.06 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.869 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 116.234 -1.841 . . . . 0.0 111.132 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.98 69.91 2.42 Favored Pre-proline 0 C--N 1.306 -1.296 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 6' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' S' ' 7' ' ' TYR . 5.8 Cg_exo -62.21 -49.55 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.275 1.317 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 7' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' S' ' 6' ' ' PRO . 0.2 OUTLIER 58.97 125.77 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.226 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 27.7 t -73.58 157.81 35.99 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.551 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.47 135.25 33.7 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 10' ' ' ALA . . . . . 0.428 ' H ' ' H ' ' S' ' 11' ' ' MET . . . -166.99 -3.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 11' ' ' MET . . . . . 0.428 ' H ' ' H ' ' S' ' 10' ' ' ALA . 0.0 OUTLIER -57.12 -59.67 4.75 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.232 -0.987 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.59 -177.8 6.65 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.09 147.21 30.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -94.84 -14.82 24.25 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.679 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 15' ' ' ARG . . . . . 0.438 HH11 ' CG ' ' S' ' 15' ' ' ARG . 0.5 OUTLIER -85.53 56.9 4.17 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.754 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.88 -1.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.06 -50.14 5.22 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -72.93 -35.4 67.0 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.415 ' O ' HG21 ' S' ' 23' ' ' VAL . 67.1 t-105 -49.41 -16.09 0.18 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.583 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' S' ' 24' ' ' ASP . 13.3 mt -112.06 -61.61 1.69 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.096 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -49.0 28.09 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.45 ' CD2' HG13 ' R' ' 55' ' ' VAL . 75.1 m-85 -87.73 -41.45 13.32 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 118.522 -1.271 . . . . 0.0 112.795 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.415 HG21 ' O ' ' S' ' 19' ' ' TRP . 41.2 t -51.95 -25.09 5.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 1.1 m-20 -67.77 -31.5 71.43 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.566 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.77 -29.27 62.1 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.441 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.72 -39.07 90.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.012 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -24.84 66.18 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.214 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -74.96 -43.19 55.45 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' S' ' 33' ' ' ASP . . . -49.38 -75.16 0.03 OUTLIER 'General case' 0 C--O 1.195 -1.775 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.689 ' C ' ' O ' ' S' ' 29' ' ' ALA . 16.7 m-85 -11.66 -74.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.457 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' S' ' 29' ' ' ALA . 4.2 mm-40 -67.48 -38.17 83.97 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' S' ' 29' ' ' ALA . 8.1 m120 -101.92 -14.47 17.2 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.937 ' O ' ' N ' ' S' ' 35' ' ' HIS . 37.7 t0 -111.66 14.93 21.22 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 1.056 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 15.99 29.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.906 0.86 . . . . 0.0 112.292 -179.522 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.937 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER 5.75 1.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 C-N-CA 131.218 3.807 . . . . 0.0 118.464 -175.175 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.688 ' N ' ' O ' ' S' ' 34' ' ' LEU . 0.5 OUTLIER -51.34 -50.0 78.74 Favored Pre-proline 0 C--N 1.283 -2.322 0 C-N-CA 118.007 -1.477 . . . . 0.0 111.398 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 5.9 Cg_exo -63.29 -73.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 110.324 -0.683 . . . . 0.0 110.324 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' S' ' 39' ' ' LEU . 0.4 OUTLIER -50.28 -56.71 10.05 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.375 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 38.3 tp -43.05 -43.99 4.58 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 117.746 -1.582 . . . . 0.0 111.256 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.27 -22.57 61.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.478 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -50.58 63.23 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 118.782 -1.167 . . . . 0.0 111.22 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 4.3 mmm -110.35 35.83 3.29 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.136 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.4 OUTLIER -46.17 -31.77 2.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.212 -0.995 . . . . 0.0 111.114 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.587 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 31.25 114.42 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.36 -27.5 31.46 Favored 'Trans proline' 0 C--O 1.216 -0.589 0 CA-C-N 118.903 0.644 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -39.9 95.61 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.044 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.62 -43.16 49.42 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.254 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -49.63 -36.87 25.9 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.294 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -29.05 69.26 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.696 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -13.47 30.81 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.622 ' C ' HD13 ' S' ' 51' ' ' LEU . 2.3 tm? -61.67 -72.89 0.11 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.4 -38.37 62.35 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m -67.66 -32.83 73.78 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.431 -0.907 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -64.71 -35.82 82.28 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.482 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.8 OUTLIER -81.12 -22.91 10.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.584 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.55 -37.05 84.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.415 HD12 ' O ' ' S' ' 82' ' ' ILE . 0.4 OUTLIER -65.91 -61.35 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 C-N-CA 118.206 -1.398 . . . . 0.0 111.332 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -46.9 -43.22 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 118.55 -1.26 . . . . 0.0 110.571 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.25 -63.77 1.18 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.347 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.52 -38.21 66.26 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.523 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.73 -59.56 3.7 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.304 -0.958 . . . . 0.0 111.382 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 62' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' S' ' 64' ' ' GLY . 0.6 OUTLIER -91.76 -65.57 1.0 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.397 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -45.6 -20.81 0.08 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' S' ' 62' ' ' LEU . . . -51.39 -45.1 53.27 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.103 -1.522 . . . . 0.0 110.213 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -44.78 -55.12 5.62 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.012 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ttp -65.69 -59.03 4.34 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -73.42 94.04 2.03 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.421 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.05 -31.45 62.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -79.79 22.91 0.46 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -149.54 45.89 0.95 Allowed 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.556 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -160.29 0.08 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -77.91 -10.99 59.85 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.485 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 51.08 82.65 0.06 Allowed 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.951 HD13 ' H ' ' S' ' 75' ' ' LEU . 0.0 OUTLIER -91.75 15.06 13.59 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.272 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.06 0.77 21.1 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.11 -178.22 5.0 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.46 171.8 2.17 Favored Glycine 0 N--CA 1.493 2.455 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.23 -40.17 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.11 80.05 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.213 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 35.1 p -46.96 -32.45 3.87 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.064 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.415 ' O ' HD12 ' S' ' 57' ' ' ILE . 10.7 pt -109.83 -30.45 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.393 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 83' ' ' THR . . . . . 0.65 ' O ' HG22 ' S' ' 83' ' ' THR . 97.4 m -99.67 25.94 6.68 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.883 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -62.97 -72.65 0.13 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.18 134.58 0.02 OUTLIER Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.681 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.21 171.01 14.09 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.678 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 87' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' S' ' 87' ' ' ASN . 2.3 p-10 -121.64 8.22 10.05 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.678 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.33 121.53 30.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.518 HD23 ' H ' ' S' ' 89' ' ' LEU . 0.3 OUTLIER -81.28 -19.68 42.48 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.911 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -69.16 -19.01 64.0 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -3.27 12.74 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.47 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.411 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . 50.39 61.13 14.01 Favored Pre-proline 0 N--CA 1.486 1.335 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.232 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' S' ' 95' ' ' GLU . 1.1 Cg_endo -63.57 -42.14 22.39 Favored 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.664 1.576 . . . . 0.0 111.56 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 t -42.26 -24.88 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.59 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 95' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' S' ' 93' ' ' PRO . 88.2 mt-10 -71.09 5.9 1.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.24 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.48 HD23 ' O ' ' S' ' 96' ' ' LEU . 1.1 tt -99.08 -56.14 2.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -22.28 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.629 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 98' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' S' ' 96' ' ' LEU . 54.7 mt-30 -53.93 -60.38 3.4 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.519 -0.873 . . . . 0.0 110.143 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.515 ' CD1' HD23 ' R' ' 34' ' ' LEU . 35.4 t90 -76.07 -55.56 5.48 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.4 tp -34.28 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.045 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 101' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.8 mt-10 -66.97 -37.37 84.12 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' S' ' 106' ' ' LYS . 36.8 mm-40 -74.67 -29.55 61.28 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.4 -35.96 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.362 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.59 -55.86 2.78 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.159 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.45 -50.13 60.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 106' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' S' ' 102' ' ' GLU . 0.0 OUTLIER -105.58 123.56 48.1 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.828 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.306 -1.317 0 CA-C-O 116.277 -1.821 . . . . 0.0 110.637 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' R' R ' 4' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' R' ' 5' ' ' SER . 4.0 tt0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' R' ' 4' ' ' GLN . 49.4 m -38.32 103.0 0.26 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.9 -177.08 0.4 Allowed 'Trans proline' 0 C--O 1.215 -0.655 0 C-N-CA 120.553 0.836 . . . . 0.0 111.272 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.1 174.49 8.22 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.974 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.18 -31.08 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.98 -47.35 6.74 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 146.26 12.04 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.5 -49.89 6.9 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.301 -0.96 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.01 110.53 1.83 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -78.09 134.2 37.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -75.44 90.45 2.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.311 -0.956 . . . . 0.0 110.257 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 15' ' ' ARG . . . . . 0.451 ' C ' ' N ' ' R' ' 17' ' ' GLN . 24.2 mtt-85 -90.38 -19.36 24.07 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.301 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 47.87 20.94 0.25 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 17' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' R' ' 15' ' ' ARG . 6.6 tt0 -61.02 -62.05 2.13 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.7 -20.93 61.14 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.785 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 19' ' ' TRP . . . . . 0.415 ' CZ3' HD13 ' S' ' 51' ' ' LEU . 30.5 t-105 -46.92 -41.94 16.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.593 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.99 -30.34 7.29 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 21' ' ' ARG . . . . . 0.417 ' O ' ' OD2' ' R' ' 24' ' ' ASP . 15.1 ttp-105 -62.89 -25.8 68.48 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.683 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 22' ' ' PHE . . . . . 0.582 ' CD2' HG23 ' S' ' 55' ' ' VAL . 35.6 t80 -103.68 -44.97 4.94 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.013 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.93 -30.9 16.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.613 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 24' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' R' ' 21' ' ' ARG . 2.5 p30 -63.88 -27.86 69.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.002 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.3 -33.94 59.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.203 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 26' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' R' ' 26' ' ' LEU . 55.9 tp -55.02 -48.32 73.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.155 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -25.38 61.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -51.24 44.87 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 29' ' ' ALA . . . . . 0.734 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -57.56 -24.0 53.73 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.533 -1.267 . . . . 0.0 109.937 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 30' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.1 m-85 -68.76 -48.33 63.99 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 116.305 -2.158 . . . . 0.0 108.287 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 31' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' R' ' 30' ' ' TYR . 44.4 tt0 -4.21 -64.52 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 126.342 2.276 . . . . 0.0 110.718 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 32' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' R' ' 30' ' ' TYR . 4.4 t-20 -104.76 -94.79 0.34 Allowed 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 33' ' ' ASP . . . . . 0.46 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 8.8 t70 -133.4 14.61 4.12 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.734 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -70.24 10.18 0.48 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.241 -1.784 . . . . 0.0 115.585 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 35' ' ' HIS . . . . . 0.447 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.0 p-80 -86.35 -49.16 7.86 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 117.481 -1.688 . . . . 0.0 108.141 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.0 OUTLIER -36.26 -56.43 1.24 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.21 -76.5 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.703 0 C-N-CA 120.484 0.789 . . . . 0.0 113.578 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 38' ' ' LEU . . . . . 0.723 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -60.08 -42.67 95.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.433 -1.307 . . . . 0.0 110.619 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 39' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 42.5 tp -47.34 -36.37 9.37 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.365 -1.334 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.0 -32.01 64.86 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.073 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.47 -43.07 7.56 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.035 -1.066 . . . . 0.0 111.009 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.07 43.13 1.03 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.676 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.87 10.45 3.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.31 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.03 160.13 0.23 Allowed Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 119.419 -0.913 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -51.72 3.67 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.3 1.333 . . . . 0.0 111.677 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.3 -44.82 88.72 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.847 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.23 -44.29 59.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -48.71 -51.84 26.63 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.51 -39.31 77.65 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.35 -38.94 13.87 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.363 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 51' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 0.2 OUTLIER -49.66 -70.98 0.07 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.948 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.23 -28.72 0.88 Allowed Glycine 0 N--CA 1.483 1.773 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -53.86 25.77 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.48 -12.11 29.12 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 55' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' S' ' 22' ' ' PHE . 47.6 t -87.25 -28.62 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -63.88 -51.87 62.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.642 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 57' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -47.03 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.108 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 58' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' R' ' 57' ' ' ILE . 14.2 t -32.16 -58.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 124.019 0.824 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -46.58 -59.63 2.88 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.57 -22.73 59.97 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.927 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.19 -25.22 62.43 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.963 -1.095 . . . . 0.0 111.075 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 62' ' ' LEU . . . . . 0.825 ' O ' HD12 ' R' ' 62' ' ' LEU . 0.2 OUTLIER -56.69 -42.87 79.85 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.164 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 23.15 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.336 -0.946 . . . . 0.0 112.252 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 64' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -75.99 -8.41 84.89 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.073 -1.537 . . . . 0.0 109.907 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -61.46 1.77 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -90.86 -61.96 1.56 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 67' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' R' ' 67' ' ' SER . 3.4 t -69.77 78.21 0.45 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.68 -50.35 31.32 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.436 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -124.69 14.25 8.69 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -87.6 -80.84 0.25 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.705 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.33 52.41 2.44 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -153.6 -16.56 0.14 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -39.52 3.33 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -86.39 -76.08 0.36 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 75' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' R' ' 77' ' ' ALA . 4.3 mt -73.71 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.784 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.58 -17.67 2.55 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.246 -1.454 . . . . 0.0 110.411 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 77' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' R' ' 75' ' ' LEU . . . 50.78 23.08 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.91 54.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.549 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.4 -24.59 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.63 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.87 3.56 6.5 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 26.8 p -124.54 -25.37 4.04 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 86.0 mt -86.11 -75.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 32.6 p -56.84 -21.22 27.55 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.345 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -73.21 -91.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.174 -1.01 . . . . 0.0 110.715 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 47.36 -102.91 0.05 OUTLIER Glycine 0 N--CA 1.489 2.216 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.122 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 9.0 m -150.2 125.85 10.32 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.76 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 87' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.6 OUTLIER -58.33 -15.44 10.44 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.774 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 88' ' ' SER . . . . . 0.461 ' O ' ' O ' ' R' ' 87' ' ' ASN . 0.5 OUTLIER 57.43 125.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.174 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 tp -51.82 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.769 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 90' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' R' ' 91' ' ' ALA . 4.3 mttt -50.47 -31.94 16.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.086 -1.046 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 91' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' R' ' 90' ' ' LYS . . . 74.58 59.5 0.07 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.081 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.01 72.36 61.04 Favored Pre-proline 0 N--CA 1.49 1.549 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.501 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 93' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' R' ' 95' ' ' GLU . 9.7 Cg_endo -76.13 -11.38 19.49 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.77 1.646 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.84 -13.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.978 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 95' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' R' ' 93' ' ' PRO . 21.8 mm-40 -75.77 -0.4 20.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 96' ' ' LEU . . . . . 0.68 ' C ' HD13 ' R' ' 96' ' ' LEU . 3.0 tm? -81.33 -44.37 17.73 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -65.91 -30.21 70.76 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.929 -0.709 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -46.08 -71.44 0.07 Allowed 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 99' ' ' TRP . . . . . 0.662 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 39.5 t90 -67.26 -48.83 66.56 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.213 -1.395 . . . . 0.0 112.052 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -40.17 27.03 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.468 -0.893 . . . . 0.0 113.167 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.23 -16.01 29.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -98.39 -25.59 14.76 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' R' R ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 1.8 p -95.56 -41.01 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 C-N-CA 118.772 -1.171 . . . . 0.0 114.037 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 104' ' ' LEU . . . . . 0.469 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 3.8 mt -90.83 -58.51 2.45 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.901 -1.12 . . . . 0.0 112.406 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 105' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' R' ' 106' ' ' LYS . 53.2 tp -59.93 -54.35 47.09 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' R' R ' 106' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' R' ' 105' ' ' LEU . 0.4 OUTLIER 58.88 118.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 116.355 -1.783 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 4' ' ' GLN . . . . . 0.854 HE21 ' N ' ' S' ' 4' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -163.01 68.2 1.82 Allowed Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.461 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -71.71 113.89 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.833 1.689 . . . . 0.0 111.546 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 48.19 19.87 0.23 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -31.82 61.59 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.309 -0.957 . . . . 0.0 111.113 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.56 45.27 1.01 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.33 84.53 7.47 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 11' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' S' ' 11' ' ' MET . 0.1 OUTLIER 46.95 80.54 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.735 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 158.73 7.14 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -9.46 31.84 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -54.92 151.49 8.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.659 -0.817 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -136.99 72.86 1.43 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.168 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -135.51 7.98 3.33 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -95.04 -46.18 6.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.597 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 18' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mt-10 -72.07 -37.94 69.53 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.522 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 19' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 57.7 t-105 -44.69 -11.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' S' ' 18' ' ' GLU . 11.8 mt -111.2 -63.41 1.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.737 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -44.92 -46.12 10.77 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.454 -0.794 . . . . 0.0 113.127 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 22' ' ' PHE . . . . . 0.473 ' CD1' HG13 ' R' ' 55' ' ' VAL . 22.4 m-85 -81.58 -50.04 9.83 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.911 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' S' ' 22' ' ' PHE . 96.4 t -46.37 -21.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 C-N-CA 118.362 -1.335 . . . . 0.0 109.596 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.4 OUTLIER -71.53 -43.87 65.66 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.815 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -64.22 -22.86 67.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.489 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 26' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' S' ' 26' ' ' LEU . 0.2 OUTLIER -65.19 -54.76 24.62 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.36 -1.336 . . . . 0.0 108.93 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -10.9 16.26 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.339 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -79.58 -45.03 19.95 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.152 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 29' ' ' ALA . . . . . 0.662 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -68.3 -30.79 69.87 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.067 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 30' ' ' TYR . . . . . 0.88 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.9 m-85 -56.15 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.709 -1.196 . . . . 0.0 111.066 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 31' ' ' GLN . . . . . 0.554 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.3 pt20 -20.89 -50.59 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 125.009 1.443 . . . . 0.0 111.973 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 32' ' ' ASN . . . . . 0.81 ' O ' ' N ' ' S' ' 34' ' ' LEU . 12.6 m120 -81.22 32.87 0.34 Allowed 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 33' ' ' ASP . . . . . 0.88 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.3 m-20 19.89 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 124.694 1.246 . . . . 0.0 112.676 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' S' ' 32' ' ' ASN . 2.4 mt -91.01 12.71 18.87 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.22 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 35' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' S' ' 39' ' ' LEU . 26.0 p-80 -76.04 -23.67 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.0 OUTLIER -58.06 -48.4 97.14 Favored Pre-proline 0 N--CA 1.5 2.037 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -179.667 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.5 Cg_exo -56.57 -61.81 0.29 Allowed 'Trans proline' 0 C--N 1.32 -0.964 0 CA-C-N 119.41 0.825 . . . . 0.0 112.466 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' S' ' 39' ' ' LEU . 0.5 OUTLIER -67.19 -37.54 83.85 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.793 -1.563 . . . . 0.0 110.31 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 21.0 tp -52.6 -37.07 57.43 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.303 -1.759 . . . . 0.0 108.383 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -32.35 72.37 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.26 -32.98 0.87 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.074 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 71.1 mmm -127.84 58.02 1.52 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.654 -0.819 . . . . 0.0 112.101 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 43' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.6 pp -89.02 3.41 51.76 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 44' ' ' THR . . . . . 0.457 ' O ' ' O ' ' S' ' 43' ' ' LEU . 1.2 p -31.31 153.2 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.548 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.39 -46.56 30.76 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.42 1.414 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -18.1 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.718 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -108.87 -28.63 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.75 -58.89 3.35 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.211 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.43 -12.27 5.81 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.734 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.54 -30.3 14.46 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 4.7 tt -69.54 -62.62 1.31 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.39 -33.94 17.82 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.878 -1.629 . . . . 0.0 109.264 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 95.3 m -70.63 -32.85 70.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -61.59 -56.74 16.65 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 55' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' R' ' 22' ' ' PHE . 2.3 p -57.01 -35.1 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -51.45 -55.46 18.67 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.221 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' S' ' 82' ' ' ILE . 0.4 OUTLIER -55.08 -54.92 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.875 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 67.8 t -44.96 -63.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.166 -1.014 . . . . 0.0 111.602 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.82 -11.99 15.23 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.781 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 60' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' S' ' 64' ' ' GLY . 3.3 tt0 -89.37 -62.57 1.45 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.967 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.37 -36.24 61.18 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.512 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 62' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' S' ' 62' ' ' LEU . 0.2 OUTLIER -69.85 -62.08 1.52 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.066 -1.053 . . . . 0.0 110.561 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.51 -6.78 43.09 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.785 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' S' ' 60' ' ' GLU . . . -70.5 -11.17 68.0 Favored Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.525 -1.321 . . . . 0.0 110.698 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.38 -26.55 68.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.775 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -15.52 43.81 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.482 -0.887 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t 49.53 31.18 3.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.487 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.61 -65.44 0.63 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.52 12.02 30.98 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 47.38 46.52 17.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.732 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.51 -37.88 71.17 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -77.59 -44.52 28.13 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 73' ' ' ASN . . . . . 0.502 ' N ' ' OD1' ' S' ' 73' ' ' ASN . 1.0 OUTLIER -94.45 12.8 25.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.227 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.02 -60.12 1.52 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.228 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -6.56 46.66 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.063 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.77 2.25 80.7 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.198 -1.477 . . . . 0.0 110.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 77' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' S' ' 78' ' ' GLY . . . -166.43 4.26 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.605 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 78' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' S' ' 80' ' ' ALA . . . -73.64 -1.8 59.08 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.2 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 6.8 mt -43.42 -21.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 80' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' S' ' 78' ' ' GLY . . . 42.89 -107.18 0.09 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -119.18 0.92 11.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 82' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' S' ' 57' ' ' ILE . 69.0 mt -44.92 -66.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.738 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 9.4 m -86.44 -53.79 4.79 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -66.35 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.06 -119.45 18.75 Favored Glycine 0 N--CA 1.489 2.223 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.018 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -75.95 0.15 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.83 171.65 1.14 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 1.6 t -172.85 -41.94 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.929 -1.109 . . . . 0.0 111.308 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 89' ' ' LEU . . . . . 0.728 HD23 ' H ' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -69.17 -55.4 10.74 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.299 -0.961 . . . . 0.0 111.078 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 90' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' S' ' 92' ' ' ALA . 1.4 mtpt -106.37 -62.15 1.43 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.252 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 91' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' S' ' 92' ' ' ALA . . . 47.75 18.15 0.12 Allowed 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.515 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 92' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' S' ' 90' ' ' LYS . . . -35.29 100.64 0.2 Allowed Pre-proline 0 N--CA 1.492 1.665 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.183 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 93' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' S' ' 95' ' ' GLU . 4.3 Cg_endo -71.18 -3.17 12.36 Favored 'Trans proline' 0 C--O 1.213 -0.745 0 C-N-CA 120.816 1.01 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.85 -16.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 C-N-CA 119.013 -1.075 . . . . 0.0 109.189 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 95' ' ' GLU . . . . . 0.51 ' N ' ' C ' ' S' ' 93' ' ' PRO . 20.2 mt-10 -88.89 -31.64 18.14 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.558 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 96' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' S' ' 93' ' ' PRO . 24.2 tp -78.48 -42.33 30.0 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -52.86 -25.8 12.7 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -63.67 1.05 Allowed 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.434 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.527 ' HB2' HD23 ' R' ' 34' ' ' LEU . 32.5 t90 -81.58 -59.19 2.7 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.013 -1.075 . . . . 0.0 111.745 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 100' ' ' LEU . . . . . 0.552 HD21 HG13 ' S' ' 58' ' ' VAL . 0.2 OUTLIER -26.88 -53.16 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.762 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.45 -51.25 8.87 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 102' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' S' ' 99' ' ' TRP . 21.2 mt-10 -59.95 -30.96 69.43 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.531 -0.867 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 14.3 t -68.63 -68.87 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.814 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.64 -77.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.914 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 105' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' S' ' 106' ' ' LYS . 0.7 OUTLIER -40.5 -45.82 2.33 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.546 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 106' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' S' ' 105' ' ' LEU . 0.0 OUTLIER 60.94 119.9 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.751 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.811 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.26 -54.01 9.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.0 OUTLIER -49.13 -74.41 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.945 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' R' ' 18' ' ' GLU . 16.0 t-105 -32.77 -31.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 18' ' ' GLU . 12.4 mt -90.77 -39.22 12.52 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.588 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' R' ' 18' ' ' GLU . 0.1 OUTLIER -69.54 -23.27 63.56 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.301 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' R' ' 22' ' ' PHE . 0.8 OUTLIER -81.19 -64.82 1.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' R' ' 22' ' ' PHE . 35.6 m -49.0 -30.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.521 -1.272 . . . . 0.0 109.115 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -38.42 67.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 118.963 -1.095 . . . . 0.0 108.939 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.77 -34.87 77.65 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.125 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.69 -44.43 66.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.675 -1.21 . . . . 0.0 109.571 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -57.16 -53.89 53.02 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.397 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . 0.591 ' H ' HD22 ' R' ' 28' ' ' ASN . 4.3 m-80 -42.98 -53.08 4.94 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.19 -54.0 48.88 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.498 -1.281 . . . . 0.0 110.057 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.8 m-85 -47.37 -70.14 0.1 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.1 tt0 11.7 -70.09 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.678 2.486 . . . . 0.0 110.341 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.3 t-20 -94.74 -95.97 0.17 Allowed 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -151.58 22.41 0.71 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' S' ' 99' ' ' TRP . 7.1 mt -80.7 15.84 1.6 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 114.455 -1.248 . . . . 0.0 114.096 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 17.4 p-80 -96.26 -17.52 20.69 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.348 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 0.3 OUTLIER -47.49 -48.91 56.96 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.584 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -61.59 -69.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.954 0 CA-C-N 118.58 0.529 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -29.6 36.37 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.262 -1.375 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.65 -34.17 72.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 117.69 -1.604 . . . . 0.0 108.323 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.828 HD22 HD22 ' R' ' 41' ' ' LEU . 0.0 OUTLIER -68.63 -30.28 68.96 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.823 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.828 HD22 HD22 ' R' ' 40' ' ' ASN . 3.6 mm? -67.13 -4.6 10.57 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.434 -1.306 . . . . 0.0 107.845 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.447 ' H ' ' C ' ' R' ' 40' ' ' ASN . 0.2 OUTLIER -105.26 16.52 25.55 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.365 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.86 12.31 7.65 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.679 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -45.69 151.89 0.77 Allowed Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.72 -56.37 1.77 Allowed 'Trans proline' 0 C--N 1.322 -0.868 0 C-N-CA 120.84 1.027 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 2.4 p30 -51.31 -44.57 61.97 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 2.3 tp10 -76.07 -34.52 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -54.69 -31.14 57.49 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -22.77 20.98 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -11.91 56.3 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.599 HD13 ' C ' ' R' ' 51' ' ' LEU . 2.7 tm? -69.39 -72.42 0.19 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.88 -30.49 5.01 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 119.074 -1.536 . . . . 0.0 109.919 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -71.72 -45.92 60.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -48.15 -38.98 19.28 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -21.96 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 19.6 ttm105 -65.04 -46.43 81.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.676 -0.809 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -59.38 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.312 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.661 HG23 ' N ' ' R' ' 59' ' ' GLU . 31.0 m -32.7 -50.39 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.786 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . 0.661 ' N ' HG23 ' R' ' 58' ' ' VAL . 14.8 tt0 -59.4 -53.84 53.56 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.849 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.44 -17.81 64.83 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 119.771 -0.772 . . . . 0.0 112.458 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' R' ' 61' ' ' LEU . 17.1 mt . . . . . 0 N--CA 1.49 1.566 0 C-N-CA 118.722 -1.191 . . . . 0.0 111.421 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' R' ' 95' ' ' GLU . 6.3 Cg_endo . . . . . 0 C--O 1.212 -0.812 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . 0.431 HG12 ' O ' ' R' ' 94' ' ' VAL . 66.1 t -54.75 -13.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' R' ' 93' ' ' PRO . 18.4 mt-10 -75.49 -17.1 60.21 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.523 HD11 HD13 ' R' ' 100' ' ' LEU . 28.0 tp -86.83 -44.7 11.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -47.28 -19.01 0.12 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.31 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' R' ' 96' ' ' LEU . 5.4 mt-30 -62.94 -60.3 3.65 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.894 -0.722 . . . . 0.0 111.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.661 ' CH2' HG21 ' R' ' 103' ' ' VAL . 34.1 t90 -81.46 -53.07 6.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.467 -1.293 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.523 HD13 HD11 ' R' ' 96' ' ' LEU . 2.4 tp -42.64 -53.68 4.34 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.567 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.76 -19.76 2.69 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.25 -13.46 20.79 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.661 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.0 OUTLIER -102.22 -29.59 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.294 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -33.54 22.03 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.638 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.488 1.473 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.38 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.71 -34.83 11.79 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.609 -0.837 . . . . 0.0 112.541 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mm-40 -91.37 -45.01 8.81 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.202 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -42.75 -13.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' S' ' 18' ' ' GLU . 81.6 mt -115.52 -81.22 0.61 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.861 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -39.27 -39.61 0.65 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.807 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' S' ' 25' ' ' LEU . 0.7 OUTLIER -85.25 -54.51 4.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.764 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' S' ' 22' ' ' PHE . 42.4 t -46.86 -23.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 118.541 -1.264 . . . . 0.0 109.686 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.6 OUTLIER -69.82 -41.05 75.52 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 119.386 -0.925 . . . . 0.0 108.834 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' S' ' 22' ' ' PHE . 73.8 mt -59.33 -28.23 66.63 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.363 -0.935 . . . . 0.0 108.989 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.85 -40.95 81.36 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.691 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -68.84 -24.18 64.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.463 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.99 -50.11 57.61 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.861 -1.135 . . . . 0.0 110.138 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -58.71 -44.33 90.35 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.94 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.764 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.2 m-85 -48.56 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.207 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.1 OUTLIER -13.72 -66.3 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 125.049 1.468 . . . . 0.0 112.798 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' S' ' 34' ' ' LEU . 45.3 m-80 -77.32 35.24 0.17 Allowed 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.706 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.764 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.6 OUTLIER 31.78 28.36 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.448 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.4 mt -91.82 14.46 15.39 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.398 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' S' ' 36' ' ' LEU . 26.7 p-80 -77.73 -21.4 51.94 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.3 mm? -35.59 -60.67 0.6 Allowed Pre-proline 0 N--CA 1.496 1.862 0 C-N-CA 119.441 -0.903 . . . . 0.0 111.497 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' S' ' 38' ' ' LEU . 1.6 Cg_endo -59.17 -72.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.339 0.693 . . . . 0.0 110.301 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' S' ' 41' ' ' LEU . 0.5 OUTLIER -38.86 -62.46 0.62 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.002 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.431 HD13 ' C ' ' S' ' 39' ' ' LEU . 0.3 OUTLIER -43.36 -70.19 0.11 Allowed 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.238 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -50.17 -18.12 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' S' ' 38' ' ' LEU . 18.8 tp -55.34 -69.57 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.07 47.17 1.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.616 -0.833 . . . . 0.0 112.762 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 44' ' ' THR . 1.6 mt -61.13 -71.76 0.13 Allowed 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.537 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 73.07 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.792 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' S' ' 46' ' ' ASP . 3.1 Cg_exo -53.17 -61.0 0.52 Allowed 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 120.848 1.032 . . . . 0.0 112.051 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' S' ' 45' ' ' PRO . 39.8 t0 -38.16 -47.73 1.18 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.256 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.3 tp10 -67.66 -39.97 84.53 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' S' ' 45' ' ' PRO . 72.1 ttt180 -50.32 -47.83 55.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.518 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.68 13.26 1.04 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -109.09 -42.95 4.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.865 -0.734 . . . . 0.0 111.967 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.846 HD12 ' N ' ' S' ' 52' ' ' GLY . 3.1 pp -47.53 -54.12 12.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . 0.846 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -59.01 -47.58 90.07 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 118.955 -1.593 . . . . 0.0 109.927 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -64.19 -8.01 11.04 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.708 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' S' ' 56' ' ' ARG . 2.0 tpp180 -90.68 -65.68 0.99 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.218 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.409 HG12 ' O ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -47.66 -23.3 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.305 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.03 -62.58 1.68 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.714 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.8 OUTLIER -42.69 -53.16 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.773 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 12.2 t -55.98 -68.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.46 -10.13 0.23 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.672 -0.811 . . . . 0.0 111.74 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.492 1.631 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.342 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.067 0.461 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -99.0 -19.88 17.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.791 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.541 HD11 HD13 ' S' ' 100' ' ' LEU . 28.8 tp -80.88 -52.26 7.67 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -43.69 -29.32 0.5 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.48 -62.5 1.61 Allowed 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.804 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.513 ' CZ3' HG11 ' S' ' 103' ' ' VAL . 36.1 t90 -77.23 -55.95 4.98 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.735 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.541 HD13 HD11 ' S' ' 96' ' ' LEU . 2.7 tp -33.94 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.265 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' S' ' 99' ' ' TRP . 0.0 OUTLIER -63.38 -43.03 98.8 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.349 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.3 mt-10 -68.47 -33.33 73.97 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.513 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.7 p -85.84 -41.36 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 C-N-CA 118.107 -1.437 . . . . 0.0 113.917 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.38 -34.51 17.56 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.914 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.303 -1.424 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.71 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -88.82 -19.55 25.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.423 ' OE2' HG11 ' S' ' 55' ' ' VAL . 16.4 tt0 -103.88 -42.39 5.6 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.494 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 24.2 t-105 -49.25 -13.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -114.42 -66.05 1.13 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.317 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -36.66 -45.16 0.5 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.41 ' C ' ' N ' ' R' ' 24' ' ' ASP . 55.0 m-85 -81.76 -45.69 15.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.511 -1.276 . . . . 0.0 111.049 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 t -55.32 -15.96 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.257 -1.377 . . . . 0.0 109.018 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' R' ' 22' ' ' PHE . 79.6 m-20 -80.03 -25.2 40.28 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.822 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -81.25 -21.05 39.72 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -57.93 -48.02 81.14 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.48 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -63.09 -37.71 88.29 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.453 -1.299 . . . . 0.0 110.187 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.76 -52.98 16.68 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.346 -1.341 . . . . 0.0 110.03 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -60.23 -42.43 95.21 Favored 'General case' 0 C--N 1.305 -1.37 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.663 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.5 m-85 -51.63 -68.62 0.15 Allowed 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 116.986 -1.886 . . . . 0.0 109.518 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.1 OUTLIER 11.02 -69.34 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 126.864 2.602 . . . . 0.0 110.633 -179.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.7 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -96.07 -91.54 0.23 Allowed 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 25.5 t0 -151.51 23.37 0.71 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.599 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.2 mp -81.9 15.62 2.19 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.504 -1.278 . . . . 0.0 113.914 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 6.7 p-80 -92.59 -34.36 14.05 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.001 -1.48 . . . . 0.0 111.007 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 1.1 tp -51.2 -49.17 83.09 Favored Pre-proline 0 N--CA 1.489 1.511 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -58.77 -64.55 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 CA-C-N 118.829 0.618 . . . . 0.0 112.198 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.488 ' HG ' ' N ' ' R' ' 39' ' ' LEU . 1.1 pp -61.15 -31.07 70.8 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.674 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.488 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 36.4 tp -64.56 -34.65 78.73 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.471 -1.292 . . . . 0.0 109.346 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.496 HD22 HD11 ' R' ' 43' ' ' LEU . 2.2 m120 -72.96 -35.06 66.85 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.315 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.722 HD23 ' N ' ' R' ' 42' ' ' MET . 0.0 OUTLIER -45.27 -26.04 0.46 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.722 ' N ' HD23 ' R' ' 41' ' ' LEU . 0.0 OUTLIER -102.65 41.25 1.26 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.822 0.82 . . . . 0.0 109.227 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.496 HD11 HD22 ' R' ' 40' ' ' ASN . 2.9 mt -69.51 11.47 0.25 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.653 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -54.13 147.08 27.38 Favored Pre-proline 0 C--N 1.3 -1.553 0 C-N-CA 118.294 -1.362 . . . . 0.0 110.14 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.82 -28.15 75.31 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.33 1.354 . . . . 0.0 111.708 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -60.13 -52.66 64.4 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 5.3 mm-40 -60.17 -36.01 76.65 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -59.37 4.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.526 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.76 -21.34 10.75 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.5 -24.86 25.4 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.583 HD13 ' C ' ' R' ' 51' ' ' LEU . 1.4 tm? -70.36 -75.73 0.11 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.413 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' R' ' 51' ' ' LEU . . . -37.59 -45.64 1.44 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.947 -1.121 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . 0.514 ' O ' ' N ' ' R' ' 55' ' ' VAL . 13.9 p -61.49 -60.85 3.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.972 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' R' ' 53' ' ' THR . 37.9 ttm180 -37.54 -27.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' R' ' 53' ' ' THR . 12.6 t -85.9 -35.51 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 119.228 -0.989 . . . . 0.0 111.958 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' R' ' 53' ' ' THR . 5.5 mmt85 -54.93 -47.3 74.61 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.975 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.565 HD13 ' H ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -53.47 -72.39 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.99 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.7 t -40.5 -53.28 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.764 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -45.76 -39.05 7.7 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' R' ' 57' ' ' ILE . 2.1 tp10 -68.61 -52.29 33.14 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.803 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.786 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' R' ' 95' ' ' GLU . 5.3 Cg_endo . . . . . 0 C--O 1.213 -0.73 0 N-CA-C 111.099 -0.385 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.77 -24.69 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' R' ' 93' ' ' PRO . 9.3 mm-40 -67.07 -38.54 85.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.414 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' R' ' 98' ' ' GLN . 17.9 tp -71.15 -46.43 61.49 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.745 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -43.52 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.477 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' R' ' 96' ' ' LEU . 38.3 mm-40 -54.5 -58.43 7.48 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' S' ' 29' ' ' ALA . 36.1 t90 -88.34 -51.67 5.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 118.454 -1.298 . . . . 0.0 112.543 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 tp -46.02 -22.66 0.23 Allowed 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' R' ' 101' ' ' GLU . 16.2 tt0 -71.33 -4.23 24.93 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.294 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.81 -28.01 7.23 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.624 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 0.3 OUTLIER -86.75 -45.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . 0.441 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 48.9 mt -87.53 -62.44 1.5 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 118.296 -1.361 . . . . 0.0 112.113 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' R' ' 104' ' ' LEU . 3.1 tp . . . . . 0 N--CA 1.494 1.758 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.754 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' S' ' 16' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 121.475 0.655 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -99.38 -40.03 8.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.423 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' S' ' 19' ' ' TRP . 2.2 mm-40 -96.96 -31.75 12.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.828 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.537 ' O ' HG22 ' S' ' 23' ' ' VAL . 63.3 t-105 -38.16 -46.58 1.06 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.395 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.92 -54.47 5.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -49.71 3.87 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' S' ' 25' ' ' LEU . 42.7 t80 -82.47 -66.03 0.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.537 HG22 ' O ' ' S' ' 19' ' ' TRP . 11.9 m -34.95 -39.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.994 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.506 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.2 OUTLIER -58.55 -44.01 89.5 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.968 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' S' ' 22' ' ' PHE . 39.7 mt -63.93 -39.98 95.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.178 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.81 -39.04 62.07 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 118.969 -1.093 . . . . 0.0 110.051 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -67.62 -28.69 67.95 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.782 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -66.55 -45.71 78.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.052 -1.059 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -64.88 -39.46 93.58 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.622 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -47.04 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.714 -0.795 . . . . 0.0 110.461 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.6 tt0 -15.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.213 1.571 . . . . 0.0 113.393 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' S' ' 34' ' ' LEU . 29.9 m120 -73.38 33.85 0.08 Allowed 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.1 OUTLIER 32.39 28.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.754 0.787 . . . . 0.0 111.244 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.6 OUTLIER -93.25 14.05 19.4 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.766 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.505 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 5.0 p-80 -97.96 4.53 49.42 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.973 -1.012 . . . . 0.0 113.381 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -47.67 -52.28 39.24 Favored Pre-proline 0 C--N 1.298 -1.647 0 C-N-CA 117.081 -1.848 . . . . 0.0 111.767 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' S' ' 40' ' ' ASN . 5.1 Cg_exo -63.12 -67.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.054 0 N-CA-C 110.322 -0.684 . . . . 0.0 110.322 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.6 OUTLIER -44.62 -52.43 8.15 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.05 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 63.1 tp -47.67 -38.38 14.82 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 118.306 -1.358 . . . . 0.0 109.834 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -81.57 -20.66 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' S' ' 41' ' ' LEU . 1.0 OUTLIER -56.99 -34.1 67.79 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 46.97 1.43 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.98 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' S' ' 44' ' ' THR . 5.2 mt -81.92 -80.06 0.16 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.19 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.538 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.0 OUTLIER 46.53 171.63 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.438 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -75.73 -42.92 0.38 Allowed 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 120.904 1.069 . . . . 0.0 112.175 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -55.25 -60.91 2.74 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.129 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.83 -25.72 65.7 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.32 -0.952 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -57.09 -46.25 82.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.743 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' S' ' 49' ' ' GLU . 14.1 tt0 -84.57 4.07 33.81 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.16 -24.82 13.55 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.901 HD12 ' N ' ' S' ' 52' ' ' GLY . 4.0 pp -63.68 -51.5 64.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.389 -1.325 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . 0.901 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -56.58 -50.15 64.98 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 118.908 -1.615 . . . . 0.0 109.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -57.41 -58.64 7.38 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.363 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' S' ' 57' ' ' ILE . 8.8 ttp85 -44.87 -23.8 0.16 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.741 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.423 HG11 ' OE2' ' R' ' 18' ' ' GLU . 76.2 t -91.29 -35.7 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 119.042 -1.063 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' S' ' 57' ' ' ILE . 3.2 mtm-85 -58.57 -47.86 82.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.296 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.655 HD12 HD21 ' R' ' 41' ' ' LEU . 0.2 OUTLIER -45.09 -76.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 119.134 -1.026 . . . . 0.0 109.394 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' S' ' 57' ' ' ILE . 33.3 t -29.91 -58.01 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 124.239 0.962 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.28 -69.19 0.19 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.723 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -179.651 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.403 0.62 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.29 -11.0 42.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.817 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.499 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -88.04 -45.88 9.8 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.934 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -25.16 2.4 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.178 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -63.72 0.95 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.245 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.599 ' CD1' HD23 ' R' ' 34' ' ' LEU . 34.9 t90 -83.46 -60.12 2.23 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.787 -1.165 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.499 HD13 HD22 ' S' ' 96' ' ' LEU . 1.5 tp -30.26 -53.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.484 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.14 -48.94 78.7 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.598 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.42 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.8 -0.76 . . . . 0.0 112.87 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.43 -22.91 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 119.176 -1.01 . . . . 0.0 112.996 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -39.07 8.21 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.056 -1.057 . . . . 0.0 112.374 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.49 1.548 0 C-N-CA 118.781 -1.168 . . . . 0.0 111.564 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.716 0.293 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -89.07 -20.19 24.66 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' R' ' 20' ' ' LEU . 3.8 pt-20 -106.04 -36.95 6.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.638 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.454 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.4 t-105 -48.48 -10.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.387 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' R' ' 18' ' ' GLU . 34.3 mt -112.7 -53.2 2.73 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -58.24 9.05 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -48.24 24.26 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.852 -1.139 . . . . 0.0 113.914 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.454 HG23 ' H ' ' R' ' 23' ' ' VAL . 5.6 t -48.65 -39.68 10.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.477 -1.289 . . . . 0.0 111.787 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -28.1 69.19 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.74 -33.05 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.577 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.86 -45.78 64.2 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.316 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -62.69 -26.96 68.92 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -54.49 37.1 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.125 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.48 21.31 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.492 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' R' ' 32' ' ' ASN . 9.8 m-85 -46.93 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.866 -1.534 . . . . 0.0 110.449 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.0 OUTLIER 1.5 -68.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.767 2.542 . . . . 0.0 112.256 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.4 m-80 -76.34 -98.46 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.509 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.972 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.07 23.8 0.49 Allowed 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 3.2 mm? -89.83 10.34 24.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 6.4 p-80 -67.96 -53.22 27.79 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.019 -1.872 . . . . 0.0 110.168 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.3 mm? -26.7 -63.01 0.16 Allowed Pre-proline 0 N--CA 1.506 2.335 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 4.7 Cg_endo -53.01 -90.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 120.922 1.081 . . . . 0.0 113.262 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' R' ' 39' ' ' LEU . 0.6 OUTLIER -48.15 -46.33 34.33 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 119.1 -1.04 . . . . 0.0 111.619 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' R' ' 38' ' ' LEU . 40.0 tp -35.49 -46.21 0.38 Allowed 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.661 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' R' ' 42' ' ' MET . 12.0 t-20 -71.49 -43.44 66.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.536 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' R' ' 38' ' ' LEU . 3.6 tp -67.95 4.56 1.14 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.555 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.452 ' H ' ' C ' ' R' ' 40' ' ' ASN . 1.1 tmt? -106.67 -35.77 6.92 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.135 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' R' ' 44' ' ' THR . 12.7 mt -101.01 -32.1 10.78 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.473 -0.891 . . . . 0.0 112.766 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.503 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER 56.05 156.58 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.542 -0.863 . . . . 0.0 108.783 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -40.85 -61.46 0.48 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.605 1.536 . . . . 0.0 113.039 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.13 -58.29 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.11 -9.47 56.62 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 118.689 -1.205 . . . . 0.0 111.948 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -66.76 -64.74 0.79 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 117.729 -1.588 . . . . 0.0 109.683 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.9 -24.68 3.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.6 81.44 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.9 -36.21 7.3 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.072 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.27 58.25 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 9.5 m -50.62 -24.65 3.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' R' ' 56' ' ' ARG . 0.0 OUTLIER -72.92 -66.37 0.68 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.314 -0.954 . . . . 0.0 109.181 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.505 HG13 ' CD1' ' S' ' 22' ' ' PHE . 88.1 t -45.85 -15.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 C-N-CA 119.254 -0.979 . . . . 0.0 110.732 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' R' ' 54' ' ' ARG . 0.0 OUTLIER -67.69 -49.17 64.08 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.688 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -62.71 -76.59 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 118.536 -1.266 . . . . 0.0 110.073 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.579 HG23 ' N ' ' R' ' 59' ' ' GLU . 27.6 m -35.39 -46.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.493 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . 0.579 ' N ' HG23 ' R' ' 58' ' ' VAL . 26.8 tt0 -58.91 -45.68 89.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.024 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.6 -30.38 62.96 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.733 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 119.124 -1.031 . . . . 0.0 111.386 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo . . . . . 0 C--O 1.214 -0.707 0 N-CA-C 110.545 -0.598 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.72 -21.7 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.31 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.51 -10.54 26.43 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.021 -1.072 . . . . 0.0 110.294 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.414 HD23 ' O ' ' R' ' 96' ' ' LEU . 1.4 tt -94.05 -40.13 10.24 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.385 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . 0.459 ' CG ' HH11 ' R' ' 97' ' ' ARG . 4.0 mtp85 -54.11 -19.09 4.41 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.314 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' R' ' 96' ' ' LEU . 1.1 mm100 -47.0 -53.36 12.58 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.551 ' HB2' HD23 ' S' ' 34' ' ' LEU . 35.3 t90 -95.99 -53.98 3.48 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.103 -1.039 . . . . 0.0 112.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.42 -53.99 2.53 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -50.76 -22.47 2.14 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.373 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.99 -27.52 17.78 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.433 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.404 ' H ' HG12 ' R' ' 103' ' ' VAL . 0.8 OUTLIER -92.47 -42.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 118.488 -1.285 . . . . 0.0 112.996 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.18 -51.07 8.83 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.518 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.471 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.833 0.349 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -114.19 -45.45 3.05 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.77 -19.45 27.51 Favored 'General case' 0 C--N 1.307 -1.283 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -63.06 -23.08 67.28 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.9 -60.71 1.6 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.942 -0.703 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm-85 -58.07 -41.88 84.35 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.505 ' CD1' HG13 ' R' ' 55' ' ' VAL . 0.3 OUTLIER -83.93 -44.34 14.34 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.429 -1.309 . . . . 0.0 112.677 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.15 -30.93 30.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 118.151 -1.42 . . . . 0.0 109.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.1 -22.24 62.53 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.304 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.26 -36.66 26.9 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.435 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.16 -43.17 70.39 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.065 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -22.75 66.78 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -57.99 5.94 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 118.561 -1.255 . . . . 0.0 110.207 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.449 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -51.87 -44.61 63.77 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.408 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.724 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -45.18 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 118.679 -1.209 . . . . 0.0 110.602 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.521 ' C ' ' H ' ' S' ' 33' ' ' ASP . 7.7 mt-30 -16.02 -70.87 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 125.354 1.658 . . . . 0.0 112.954 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.649 HD22 ' N ' ' S' ' 32' ' ' ASN . 1.6 m120 -75.63 36.16 0.13 Allowed 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.152 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.724 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 30.06 30.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.214 0.946 . . . . 0.0 111.622 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.3 OUTLIER -96.28 15.42 21.16 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.83 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.545 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 16.2 p-80 -94.05 -10.84 32.16 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.882 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.471 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.0 mt -57.04 -44.85 99.94 Favored Pre-proline 0 C--N 1.296 -1.727 0 C-N-CA 117.538 -1.665 . . . . 0.0 113.094 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 2.2 Cg_endo -66.53 -58.68 0.15 Allowed 'Trans proline' 0 C--N 1.32 -0.926 0 C-N-CA 120.373 0.716 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.579 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.5 pp -60.23 -42.51 95.39 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.545 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.44 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 16.1 tp -48.73 -44.4 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 118.145 -1.422 . . . . 0.0 107.275 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.58 -33.95 34.85 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.03 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.65 -22.62 64.39 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mtm -104.03 -3.74 24.2 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.951 -0.7 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.7 OUTLIER -42.12 -66.75 0.32 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.022 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.473 ' O ' ' O ' ' S' ' 43' ' ' LEU . 7.3 m 56.37 119.65 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 123.646 0.591 . . . . 0.0 110.065 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -52.79 -60.51 0.7 Allowed 'Trans proline' 0 C--O 1.214 -0.681 0 C-N-CA 120.731 0.954 . . . . 0.0 113.026 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -42.3 -36.97 1.38 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.666 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.469 ' OE2' ' NH2' ' R' ' 54' ' ' ARG . 4.4 mm-40 -81.07 -38.13 27.86 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.389 -0.925 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -48.39 -54.4 14.15 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.967 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -63.26 -10.18 14.72 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.073 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -39.83 11.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.16 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -51.5 -55.69 17.5 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 118.781 -1.167 . . . . 0.0 111.59 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.36 -51.82 53.75 Favored Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -51.61 -58.36 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.918 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -53.5 -47.37 69.93 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -44.98 -35.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.646 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -45.06 89.26 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.429 -0.908 . . . . 0.0 113.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.57 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.3 pt -54.11 -56.51 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 118.349 -1.34 . . . . 0.0 112.209 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.57 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 0.7 OUTLIER -50.19 -43.33 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 118.268 -1.373 . . . . 0.0 110.687 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' S' ' 58' ' ' VAL . 52.0 mt-10 -71.87 -79.62 0.07 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.81 -1.156 . . . . 0.0 111.445 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.71 -6.51 8.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' S' ' 98' ' ' GLN . 13.9 tp -87.19 -60.5 1.96 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.445 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' S' ' 96' ' ' LEU . 7.6 mtt-85 -40.57 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.657 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' S' ' 96' ' ' LEU . 61.4 mm-40 -57.71 -57.47 12.61 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -79.43 -56.04 4.62 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.785 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.427 HD13 HD11 ' S' ' 96' ' ' LEU . 4.2 tp -38.93 -29.36 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.353 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.29 -33.05 75.06 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.569 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.821 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -92.87 -27.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -113.65 -50.91 2.82 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 118.997 -1.081 . . . . 0.0 113.714 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.392 -179.847 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -125.15 -78.42 0.6 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.8 OUTLIER -67.44 -37.03 82.37 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.538 -0.865 . . . . 0.0 111.486 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -41.94 -23.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.598 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' R' ' 18' ' ' GLU . 13.3 mt -90.66 -47.52 7.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.076 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -56.87 -30.64 64.04 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.284 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' R' ' 24' ' ' ASP . 9.8 t80 -69.61 -75.2 0.12 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.477 -1.289 . . . . 0.0 110.605 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 22' ' ' PHE . 16.4 m -38.67 -29.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.663 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . 0.488 ' O ' ' ND2' ' R' ' 28' ' ' ASN . 6.2 t70 -66.25 -59.19 3.97 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.299 -0.961 . . . . 0.0 109.734 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.04 -42.54 76.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.76 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.812 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -49.65 -15.07 0.14 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.859 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' R' ' 24' ' ' ASP . 1.0 OUTLIER -77.4 -55.42 5.41 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.599 -1.241 . . . . 0.0 109.775 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.88 -39.52 39.8 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.627 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.4 m-85 -50.38 -65.15 0.61 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 117.599 -1.64 . . . . 0.0 109.509 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' R' ' 30' ' ' TYR . 3.7 tp-100 7.28 -70.4 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 126.777 2.548 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' R' ' 30' ' ' TYR . 5.1 t-20 -86.52 -96.04 0.08 Allowed 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 117.921 -1.511 . . . . 0.0 107.742 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 58.5 m-20 -150.83 24.56 0.76 Allowed 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.03 10.17 25.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 117.683 -1.607 . . . . 0.0 113.846 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.8 p-80 -57.02 -56.59 19.8 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 117.675 -1.61 . . . . 0.0 110.86 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 4.4 mt -32.11 -64.83 0.22 Allowed Pre-proline 0 N--CA 1.504 2.27 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 3.9 Cg_exo -46.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.851 1.034 . . . . 0.0 113.163 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.755 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -58.85 -41.6 87.35 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.911 -1.516 . . . . 0.0 109.882 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.446 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.0 tp -47.72 -32.24 5.6 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.322 -1.351 . . . . 0.0 108.668 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -88.34 -27.76 21.45 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.234 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -45.35 -52.91 9.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 50.62 1.33 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.903 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.526 ' C ' HG23 ' R' ' 44' ' ' THR . 1.5 mt -59.09 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.526 HG23 ' C ' ' R' ' 43' ' ' LEU . 1.7 p 56.2 152.78 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.511 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.14 -29.34 86.87 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 C-N-CA 120.769 0.979 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.16 -47.45 68.77 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.51 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.3 -47.12 45.32 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -49.6 -24.37 2.14 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -100.05 -49.24 4.37 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.046 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.64 68.11 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.628 HD13 ' C ' ' R' ' 51' ' ' LEU . 3.1 tm? -66.55 -72.71 0.15 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.04 -36.96 5.39 Favored Glycine 0 N--CA 1.483 1.777 0 C-N-CA 119.214 -1.469 . . . . 0.0 109.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -73.03 -39.52 65.9 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -58.89 -24.96 62.91 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.629 HG13 ' CG ' ' S' ' 22' ' ' PHE . 43.5 t -87.01 -25.99 6.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.444 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -57.01 10.39 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.763 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.5 OUTLIER -49.61 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.81 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.601 HG13 HD21 ' R' ' 100' ' ' LEU . 49.9 t -34.86 -60.13 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.769 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -44.36 -39.65 4.79 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' R' ' 57' ' ' ILE . 4.3 mt-10 -76.96 -48.55 17.75 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 N--CA 1.486 1.365 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.584 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo . . . . . 0 N--CA 1.479 0.64 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . 0.497 HG12 ' O ' ' R' ' 94' ' ' VAL . 44.3 t -58.06 -7.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.43 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.08 3.9 36.61 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.587 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.94 -49.54 4.74 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -48.62 -24.64 1.41 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.426 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -55.44 -63.83 1.04 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.299 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.849 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 31.2 t90 -72.51 -60.96 1.98 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.251 -1.38 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.601 HD21 HG13 ' R' ' 58' ' ' VAL . 0.1 OUTLIER -33.49 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.476 -1.238 . . . . 0.0 113.167 -179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.03 -43.99 73.63 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.723 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.91 -42.96 76.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.418 ' H ' HG12 ' R' ' 103' ' ' VAL . 2.2 p -72.65 -34.56 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.12 -0.76 46.48 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.867 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.31 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.63 -33.64 64.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.947 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.55 -25.09 16.98 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.813 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -46.46 -30.02 2.0 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.21 -27.02 6.99 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -51.14 34.12 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.723 -1.191 . . . . 0.0 111.142 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.629 ' CG ' HG13 ' R' ' 55' ' ' VAL . 3.3 m-85 -78.08 -42.22 32.83 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.539 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 37.3 t -54.1 -34.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 118.889 -1.125 . . . . 0.0 109.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.67 -30.14 69.73 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 118.803 -1.159 . . . . 0.0 109.4 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.42 -23.82 46.47 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.77 -33.59 75.49 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 117.842 -1.543 . . . . 0.0 107.824 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -22.34 59.31 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.962 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . 0.483 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 6.7 m-80 -71.83 -37.08 70.36 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.246 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.849 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -73.0 -44.69 60.74 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 4.3 m-85 -45.82 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.75 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.0 OUTLIER -14.2 -65.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.556 1.785 . . . . 0.0 113.02 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.587 ' O ' ' N ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER -76.41 35.03 0.14 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.119 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 6.1 t0 31.23 28.61 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.533 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.7 mp -95.69 15.37 20.23 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 15.1 p-80 -88.57 -28.61 20.61 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.692 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.4 mt -36.92 -55.53 1.58 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.371 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -58.33 -66.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.317 -1.095 0 CA-C-N 118.699 0.571 . . . . 0.0 111.193 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.719 ' O ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -49.91 -32.18 14.03 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -61.58 -68.08 0.35 Allowed 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.703 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.59 -30.27 0.88 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' S' ' 41' ' ' LEU . 15.9 tp -44.42 -41.37 6.17 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.716 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -123.97 64.86 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.4 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.7 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.0 OUTLIER -86.9 -46.53 9.81 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.405 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.576 ' O ' ' O ' ' S' ' 43' ' ' LEU . 3.5 p 43.74 126.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.224 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -58.14 -25.94 73.68 Favored 'Trans proline' 0 C--O 1.219 -0.46 0 CA-C-N 118.852 0.626 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.9 -51.39 68.34 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' S' ' 46' ' ' ASP . 18.7 mt-10 -69.63 -23.63 63.53 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.493 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -59.32 -49.21 78.68 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.783 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.25 -18.56 49.72 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 -10.26 25.59 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.614 -0.835 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' HD13 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -63.78 -77.47 0.05 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.928 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . 0.4 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -47.51 -42.69 19.84 Favored Glycine 0 N--CA 1.481 1.648 0 C-N-CA 118.678 -1.725 . . . . 0.0 109.278 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -56.41 -32.77 65.15 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.449 ' NE ' ' CZ ' ' R' ' 22' ' ' PHE . 12.2 ttp180 -67.94 -25.49 65.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.4 HG12 ' O ' ' S' ' 52' ' ' GLY . 0.3 OUTLIER -77.19 -27.99 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.373 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' S' ' 57' ' ' ILE . 1.6 mtm180 -68.45 -55.42 11.91 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' S' ' 56' ' ' ARG . 0.4 OUTLIER -40.99 -77.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.579 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.24 -61.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.55 -72.43 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.454 -0.898 . . . . 0.0 112.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.76 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 121.156 0.503 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.27 -35.87 58.71 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.528 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.52 -42.88 86.59 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -50.35 -25.89 4.32 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.551 -0.86 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -59.82 -63.8 1.17 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.557 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.1 t90 -66.57 -64.94 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.339 -1.345 . . . . 0.0 109.965 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -23.47 -54.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.56 1.163 . . . . 0.0 112.326 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.57 -45.82 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.821 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' S' ' 99' ' ' TRP . 35.5 mm-40 -73.1 -12.25 60.83 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.71 -36.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 118.75 -1.18 . . . . 0.0 113.511 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.8 mt -104.77 -82.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.183 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.304 -1.4 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.437 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.1 t-80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.527 0.203 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.49 -19.58 0.91 Allowed 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.555 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.577 ' CD ' HG11 ' S' ' 55' ' ' VAL . 2.0 tt0 -93.01 -28.88 16.13 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.381 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.504 ' O ' HG21 ' R' ' 23' ' ' VAL . 75.6 t-105 -61.51 -5.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.732 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -118.78 -48.13 2.48 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -53.7 55.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.72 -38.03 55.01 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.988 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.504 HG21 ' O ' ' R' ' 19' ' ' TRP . 38.5 t -56.89 -26.39 24.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.551 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.84 -14.34 62.37 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.103 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.04 -39.93 11.36 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -47.07 -31.42 3.36 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -72.94 -44.76 60.78 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.983 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . 0.425 HD22 ' N ' ' R' ' 28' ' ' ASN . 1.1 m-80 -47.8 -44.23 28.49 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.005 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -67.71 -59.68 3.14 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.712 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -36.96 -67.32 0.18 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.7 tt0 8.95 -67.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 126.929 2.643 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.712 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.5 t-20 -98.16 -90.48 0.28 Allowed 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.492 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 55.9 m-20 -153.66 25.44 0.51 Allowed 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.473 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 3.2 mt -88.51 18.01 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -100.12 -27.72 13.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.041 -1.063 . . . . 0.0 110.693 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.411 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 1.1 mt -51.25 -48.98 84.3 Favored Pre-proline 0 N--CA 1.488 1.434 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 6.2 Cg_endo -68.06 -58.64 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 120.013 0.475 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.753 ' O ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -55.78 -33.37 64.29 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.121 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.3 tp -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.42 -1.312 . . . . 0.0 108.367 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -74.4 -20.31 60.1 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -47.39 -57.12 5.66 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.182 -1.007 . . . . 0.0 109.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.437 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -107.23 51.48 0.74 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.871 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.3 OUTLIER -73.02 8.3 1.65 Allowed 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.763 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.448 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 1.0 OUTLIER -42.34 154.3 0.28 Allowed Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.842 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.48 -19.09 27.76 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 121.182 1.255 . . . . 0.0 111.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.59 63.7 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.761 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' R' ' 44' ' ' THR . 17.0 mp0 -82.47 -37.6 25.13 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -48.06 -52.73 18.96 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -48.98 -22.77 0.93 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.677 -0.809 . . . . 0.0 111.299 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -99.4 -63.92 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.563 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.511 HD13 ' C ' ' R' ' 51' ' ' LEU . 0.7 OUTLIER -30.53 -71.41 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 123.686 0.616 . . . . 0.0 111.815 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.76 -59.12 7.62 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.508 -1.33 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 15.23 1.22 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.421 -0.911 . . . . 0.0 112.253 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' R' ' 50' ' ' ALA . 15.8 ttt180 -106.81 -37.4 6.39 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -29.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.581 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -56.27 -48.04 77.39 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.846 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.494 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -50.9 -75.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.569 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' R' ' 57' ' ' ILE . 96.4 t -28.17 -50.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 124.338 1.024 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . 0.4 ' CG ' ' CE1' ' S' ' 22' ' ' PHE . 1.6 mm-40 -61.06 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.49 -48.29 2.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.463 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.489 1.518 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.855 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo . . . . . 0 C--O 1.213 -0.733 0 N-CA-C 111.053 -0.403 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . 0.431 ' H ' HG23 ' R' ' 94' ' ' VAL . 4.1 t -62.07 -14.68 12.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.592 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.63 -7.91 59.07 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.247 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -41.6 14.86 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.69 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -51.56 -25.62 7.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.9 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -48.05 -64.85 0.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 32.4 t90 -76.39 -57.29 3.95 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.95 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.22 -29.96 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.654 -1.157 . . . . 0.0 113.009 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.05 -31.68 61.35 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.476 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' R' ' 99' ' ' TRP . 48.0 mt-10 -82.33 -17.78 44.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.671 HG13 ' N ' ' R' ' 104' ' ' LEU . 10.8 p -97.83 -49.43 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . 0.671 ' N ' HG13 ' R' ' 103' ' ' VAL . 5.1 mt -90.74 -29.94 17.35 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.425 -1.31 . . . . 0.0 112.904 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.506 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.673 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . 0.479 ' C ' ' H ' ' S' ' 18' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.23 23.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' S' ' 16' ' ' HIS . 4.6 pt-20 -156.53 -42.09 0.07 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.708 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.401 ' CZ3' ' HG ' ' R' ' 51' ' ' LEU . 66.7 t-105 -48.09 -19.1 0.24 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.207 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' S' ' 18' ' ' GLU . 26.1 mt -125.07 -60.88 1.33 Allowed 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -38.9 0.37 Allowed 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.461 -1.245 . . . . 0.0 113.491 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' S' ' 23' ' ' VAL . 24.0 m-85 -113.87 -35.7 5.04 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.719 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' S' ' 22' ' ' PHE . 2.7 t -47.52 -27.96 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 118.185 -1.406 . . . . 0.0 108.607 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.94 87.23 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.251 -0.98 . . . . 0.0 108.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' S' ' 22' ' ' PHE . 16.9 mt -65.35 -28.93 69.64 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.533 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -54.82 -44.36 73.78 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.028 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.93 -62.17 1.98 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.676 -1.21 . . . . 0.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.433 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -46.64 -49.09 19.66 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.331 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.783 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.7 m-85 -49.87 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' S' ' 30' ' ' TYR . 53.6 tt0 -13.62 -68.48 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 125.4 1.688 . . . . 0.0 112.244 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 7.2 m120 -78.07 36.96 0.24 Allowed 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.783 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 31.89 27.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.878 0.736 . . . . 0.0 111.746 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.5 tp -96.55 13.44 28.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' S' ' 36' ' ' LEU . 2.5 p-80 -81.07 -27.7 35.59 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 118.337 -1.345 . . . . 0.0 111.332 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.7 mm? -34.69 -57.04 0.79 Allowed Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.829 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 13.2 Cg_exo -49.63 -70.52 0.06 OUTLIER 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 120.636 0.891 . . . . 0.0 112.736 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.585 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.7 pp -57.95 -40.02 79.5 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.437 ' N ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.78 -61.78 2.04 Favored 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 118.059 -1.456 . . . . 0.0 108.063 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.49 -37.22 0.67 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.836 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . 0.448 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -46.36 -42.14 14.5 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.57 -1.252 . . . . 0.0 109.844 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.96 33.41 3.05 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.666 -0.814 . . . . 0.0 112.891 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 3.99 1.86 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.235 -0.986 . . . . 0.0 111.758 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . . . . . . . . . 47.3 p -45.55 148.62 1.2 Allowed Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.89 -21.51 20.96 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.916 1.078 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.39 -19.33 65.9 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.734 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 -43.64 4.08 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.779 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -53.17 -51.3 62.48 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -68.86 -38.51 79.78 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.365 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.28 77.95 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.646 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 5.4 tt -55.98 -53.16 60.24 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.179 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.17 -39.15 2.92 Favored Glycine 0 N--CA 1.492 2.419 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -71.84 -52.37 17.8 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.422 ' NH2' HD12 ' R' ' 39' ' ' LEU . 13.7 ttm180 -48.49 -27.39 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.262 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.577 HG11 ' CD ' ' R' ' 18' ' ' GLU . 58.6 t -79.01 -47.7 22.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.766 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -50.48 -64.68 0.73 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.466 HG23 ' H ' ' S' ' 58' ' ' VAL . 1.0 OUTLIER -46.02 -56.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 C-N-CA 119.212 -0.995 . . . . 0.0 112.9 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.499 HG13 HD11 ' S' ' 100' ' ' LEU . 99.7 t -49.43 -64.55 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 118.487 -1.285 . . . . 0.0 110.728 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.94 -58.38 7.86 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.803 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.39 -2.62 23.03 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.421 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.83 -56.37 4.74 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.304 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.42 -35.05 26.78 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.189 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.82 -53.19 60.37 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' R' ' 29' ' ' ALA . 32.0 t90 -67.97 -55.72 11.68 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.161 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.499 HD11 HG13 ' S' ' 58' ' ' VAL . 2.9 tp -42.33 -32.08 0.47 Allowed 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.741 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.54 -23.12 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.556 -0.858 . . . . 0.0 112.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.0 -26.35 20.38 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.47 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.5 p -89.86 -43.65 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 C-N-CA 118.643 -1.223 . . . . 0.0 113.544 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' S' ' 105' ' ' LEU . 96.4 mt -93.71 -67.11 0.87 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.018 -1.073 . . . . 0.0 112.153 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' S' ' 104' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.595 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.647 0.26 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.61 1.77 25.47 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' R' ' 20' ' ' LEU . 23.7 mm-40 -113.79 -41.13 3.63 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.06 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.504 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 42.6 t-105 -44.73 -10.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.426 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' R' ' 18' ' ' GLU . 20.1 mt -113.56 -73.55 0.66 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.678 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -37.57 -49.32 1.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.46 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.37 -49.42 19.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.708 HG22 HD21 ' S' ' 51' ' ' LEU . 98.7 t -54.38 -22.81 9.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.69 -36.25 75.8 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.38 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.43 -22.86 62.67 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.366 -0.933 . . . . 0.0 109.307 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tp -57.63 -50.44 73.15 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.73 -1.188 . . . . 0.0 110.33 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -20.81 64.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.476 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -64.54 -50.06 68.79 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.401 -1.319 . . . . 0.0 109.077 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CZ2' ' S' ' 99' ' ' TRP . . . -59.19 -51.98 67.67 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.735 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -43.07 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.438 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' R' ' 30' ' ' TYR . 22.0 tp60 3.82 -67.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.955 2.659 . . . . 0.0 111.41 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.1 m-20 -83.35 -95.56 0.06 Allowed 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 117.653 -1.619 . . . . 0.0 107.161 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.22 23.83 0.55 Allowed 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' S' ' 99' ' ' TRP . 2.9 mm? -88.59 10.06 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.7 p-80 -75.73 -37.75 59.11 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 117.014 -1.874 . . . . 0.0 110.774 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 35' ' ' HIS . 3.9 mt -34.4 -59.32 0.58 Allowed Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.45 -81.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 120.521 0.814 . . . . 0.0 112.386 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -52.18 -36.73 52.66 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.283 -1.367 . . . . 0.0 109.678 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.6 tp -57.57 -32.77 67.48 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.744 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' R' ' 42' ' ' MET . 5.8 m-20 -81.45 -15.95 53.51 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.083 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.44 -11.06 3.84 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 117.777 -1.569 . . . . 0.0 108.603 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.447 ' N ' ' C ' ' R' ' 40' ' ' ASN . 6.1 mmt -128.77 30.39 5.11 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.452 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.848 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.2 OUTLIER -74.99 5.98 4.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.509 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.438 ' C ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -40.23 160.02 0.13 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.521 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -52.43 -67.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.07 1.18 . . . . 0.0 111.613 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' R' ' 46' ' ' ASP . 0.0 OUTLIER -44.96 -36.2 3.26 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.393 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.62 -31.81 47.15 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.505 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -68.71 -61.55 1.76 Allowed 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.49 -3.19 1.31 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.821 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.52 -46.41 6.99 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.18 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.48 -57.5 3.06 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -51.62 -77.23 0.14 Allowed Glycine 0 N--CA 1.492 2.393 0 C-N-CA 119.981 -1.104 . . . . 0.0 112.185 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -20.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.469 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' R' ' 52' ' ' GLY . 0.3 OUTLIER -79.55 -72.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.837 -1.145 . . . . 0.0 111.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -14.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 118.317 -1.353 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' R' ' 54' ' ' ARG . 1.2 mmm-85 -71.35 -39.28 71.4 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.743 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 2.9 pt -58.97 -53.6 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 118.744 -1.182 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' R' ' 100' ' ' LEU . 4.9 m -53.42 -45.1 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 118.341 -1.343 . . . . 0.0 109.934 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -66.65 0.43 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.186 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.48 -15.53 38.55 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.804 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.489 1.517 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.512 -179.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' R' ' 95' ' ' GLU . 1.1 Cg_endo . . . . . 0 C--O 1.216 -0.61 0 N-CA-C 110.885 -0.467 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . 0.433 ' C ' ' H ' ' R' ' 96' ' ' LEU . 60.5 t -48.49 -13.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' R' ' 93' ' ' PRO . 2.3 mm-40 -69.91 3.99 2.31 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.882 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.744 HD11 HD13 ' R' ' 100' ' ' LEU . 17.1 tp -97.62 -56.66 2.45 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -22.6 0.08 Allowed 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' R' ' 96' ' ' LEU . 18.9 mt-30 -52.81 -55.14 25.18 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.562 ' CZ3' HG11 ' R' ' 103' ' ' VAL . 57.8 t90 -87.61 -54.19 4.4 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.744 HD13 HD11 ' R' ' 96' ' ' LEU . 2.9 tp -35.38 -38.13 0.1 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.036 -0.984 . . . . 0.0 113.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.13 -29.99 62.08 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.134 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.9 mm-40 -84.87 -18.18 35.63 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.628 -0.829 . . . . 0.0 113.073 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.562 HG11 ' CZ3' ' R' ' 99' ' ' TRP . 1.5 p -96.42 -30.31 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.866 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mt -105.8 -51.89 2.91 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.325 -0.95 . . . . 0.0 112.163 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -72.23 -40.78 67.5 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.408 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' S' ' 20' ' ' LEU . 18.7 mt-10 -75.22 -51.53 13.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.217 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.462 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 72.9 t-105 -35.77 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' S' ' 18' ' ' GLU . 12.5 mt -108.32 -67.95 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.16 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' S' ' 20' ' ' LEU . 18.3 mtp85 -32.24 -47.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' S' ' 24' ' ' ASP . 49.9 m-85 -89.7 -40.54 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.427 -1.309 . . . . 0.0 111.626 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 72.4 t -56.51 -12.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 C-N-CA 117.933 -1.507 . . . . 0.0 108.61 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' S' ' 22' ' ' PHE . 11.6 t0 -71.94 -32.79 67.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.336 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.45 -29.05 41.63 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.555 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 tp -51.25 -47.0 62.55 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' S' ' 27' ' ' LYS . 2.8 mtmt -63.63 -50.87 67.65 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.686 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 1.4 m120 -42.16 -40.6 2.39 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.037 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.547 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -70.65 -49.36 48.21 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.066 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.9 m-85 -44.42 -83.22 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 118.894 -1.123 . . . . 0.0 109.788 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.562 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.6 tp-100 -16.6 -64.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 O-C-N 125.612 1.82 . . . . 0.0 112.498 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' S' ' 34' ' ' LEU . 2.5 m120 -73.2 32.92 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.729 ' N ' ' O ' ' S' ' 30' ' ' TYR . 7.3 t0 30.7 28.33 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.177 0.923 . . . . 0.0 112.187 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' S' ' 32' ' ' ASN . 4.0 mt -94.9 14.83 20.3 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 118.791 -1.164 . . . . 0.0 110.048 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' HD22 ' S' ' 36' ' ' LEU . 30.0 p-80 -70.32 -37.5 74.73 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.441 -1.304 . . . . 0.0 112.018 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' S' ' 35' ' ' HIS . 2.1 mm? -30.93 -61.12 0.27 Allowed Pre-proline 0 N--CA 1.505 2.289 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -60.77 -78.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.115 1.21 . . . . 0.0 113.537 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 0.6 OUTLIER -46.25 -43.26 15.39 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.203 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.481 HD23 ' N ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -41.8 -71.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.626 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . 0.481 ' N ' HD23 ' S' ' 39' ' ' LEU . 7.1 t-20 -36.87 -56.51 0.86 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.327 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.97 -21.6 66.22 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.601 -0.84 . . . . 0.0 113.061 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . 0.441 ' SD ' HG11 ' R' ' 58' ' ' VAL . 36.3 mtp -99.27 -58.5 1.92 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.274 -0.97 . . . . 0.0 113.424 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.57 17.12 18.46 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.45 ' OG1' ' OD1' ' S' ' 40' ' ' ASN . 0.8 OUTLIER -44.84 -50.38 25.53 Favored Pre-proline 0 N--CA 1.493 1.701 0 C-N-CA 118.204 -1.398 . . . . 0.0 112.435 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' S' ' 47' ' ' GLU . 5.2 Cg_endo -71.83 -60.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 120.463 0.775 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.8 m-20 -56.81 -5.48 0.24 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' S' ' 45' ' ' PRO . 0.2 OUTLIER -62.16 -69.22 0.26 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.068 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -75.72 -20.17 58.55 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.45 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.03 -37.86 15.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.206 -0.998 . . . . 0.0 113.531 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -105.2 -30.37 9.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.708 HD21 HG22 ' R' ' 23' ' ' VAL . 0.2 OUTLIER -69.89 -74.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.347 -1.341 . . . . 0.0 112.042 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' S' ' 51' ' ' LEU . . . -37.13 -41.97 0.74 Allowed Glycine 0 N--CA 1.49 2.256 0 C-N-CA 120.26 -0.971 . . . . 0.0 111.526 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -67.88 -56.2 10.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.577 ' HA ' HD11 ' S' ' 57' ' ' ILE . 4.1 ttp180 -53.59 -18.9 3.27 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.61 -34.62 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -63.76 1.13 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.19 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' S' ' 54' ' ' ARG . 0.4 OUTLIER -43.9 -77.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.16 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' S' ' 57' ' ' ILE . 98.7 t -36.22 -71.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' S' ' 58' ' ' VAL . 22.1 tt0 -37.17 -37.04 0.15 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.568 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.32 -9.44 23.56 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.387 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.52 HD11 HD13 ' S' ' 100' ' ' LEU . 20.5 tp -89.43 -48.07 7.58 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -25.66 0.61 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.097 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' S' ' 96' ' ' LEU . 11.2 mm100 -46.44 -57.34 4.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.743 ' HB2' HD12 ' R' ' 34' ' ' LEU . 45.6 t90 -89.66 -56.33 3.29 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.384 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.52 HD13 HD11 ' S' ' 96' ' ' LEU . 1.8 tp -33.39 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.859 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' S' ' 99' ' ' TRP . 7.5 tt0 -82.07 -35.93 28.18 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' S' ' 99' ' ' TRP . 31.6 mt-10 -74.16 -10.97 60.14 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.149 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.418 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.2 p -108.05 -40.52 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 C-N-CA 119.159 -1.016 . . . . 0.0 113.301 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -81.67 -51.46 8.18 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.654 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . 0.433 ' N ' HD12 ' S' ' 105' ' ' LEU . 8.2 mp . . . . . 0 C--N 1.304 -1.405 0 C-N-CA 118.622 -1.231 . . . . 0.0 111.595 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.998 0.428 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -83.43 -67.64 0.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.567 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -26.92 65.41 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.497 ' O ' HG22 ' R' ' 23' ' ' VAL . 77.3 t-105 -49.53 -48.45 48.22 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.232 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.97 -50.41 10.46 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -51.19 -38.47 52.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' R' ' 24' ' ' ASP . 40.2 t80 -75.09 -71.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.306 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.497 HG22 ' O ' ' R' ' 19' ' ' TRP . 27.2 m -42.77 -21.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' R' ' 22' ' ' PHE . 0.5 OUTLIER -68.39 -45.45 72.69 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.816 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.4 -30.17 69.02 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.321 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.54 -52.92 62.11 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.336 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -52.68 -58.4 6.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . 0.512 HD22 ' N ' ' R' ' 28' ' ' ASN . 1.1 m-80 -38.43 -55.23 1.41 Allowed 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.053 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.46 75.73 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.619 ' O ' ' N ' ' R' ' 32' ' ' ASN . 1.5 m-85 -45.69 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.04 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' R' ' 30' ' ' TYR . 4.3 tt0 5.1 -69.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 127.149 2.781 . . . . 0.0 111.294 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.7 m-20 -81.92 -96.83 0.04 OUTLIER 'General case' 0 C--N 1.274 -2.696 0 C-N-CA 117.917 -1.513 . . . . 0.0 107.72 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.34 26.58 0.52 Allowed 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 8.14 31.46 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 15.8 p-80 -70.03 -43.72 70.73 Favored 'General case' 0 C--N 1.292 -1.899 0 C-N-CA 117.731 -1.588 . . . . 0.0 112.036 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.46 -57.59 1.83 Allowed Pre-proline 0 N--CA 1.502 2.145 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.59 -73.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 120.612 0.875 . . . . 0.0 113.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.419 ' HB3' HD21 ' S' ' 96' ' ' LEU . 0.3 OUTLIER -59.21 -36.54 75.57 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.102 -1.439 . . . . 0.0 109.869 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 57.1 tp -57.5 -36.22 71.23 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.86 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.498 HD22 ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -63.15 -34.3 77.33 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.866 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.495 HD23 HD12 ' S' ' 96' ' ' LEU . 0.2 OUTLIER -48.64 -33.24 9.56 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.617 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.427 ' HG2' ' HE ' ' S' ' 54' ' ' ARG . 0.2 OUTLIER -83.86 28.85 0.57 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.079 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.498 ' CD1' HD22 ' R' ' 40' ' ' ASN . 1.2 mt -67.87 -0.76 4.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.509 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.403 HG23 ' H ' ' R' ' 46' ' ' ASP . 0.3 OUTLIER -47.94 148.78 2.69 Favored Pre-proline 0 C--N 1.301 -1.512 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.017 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -55.82 -44.78 44.3 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 120.726 0.95 . . . . 0.0 111.342 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . 0.403 ' H ' HG23 ' R' ' 44' ' ' THR . 3.7 t70 -65.35 3.57 0.64 Allowed 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.17 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -114.79 -48.56 2.84 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -70.7 -51.92 24.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' R' ' 53' ' ' THR . 0.5 OUTLIER -63.46 -7.42 6.72 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.042 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.51 -28.4 11.78 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.457 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 6.1 tt -64.26 -53.1 54.43 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.96 -38.87 90.67 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.33 -1.414 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.3 OUTLIER -63.96 -33.79 76.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.005 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.7 -22.97 61.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.61 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.44 -27.23 7.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' R' ' 57' ' ' ILE . 4.8 mtm180 -63.49 -56.6 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.556 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -41.78 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.236 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' R' ' 57' ' ' ILE . 73.3 t -34.7 -63.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.33 -44.14 23.43 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.829 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.05 -55.42 10.84 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.485 1.319 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.932 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo . . . . . 0 C--O 1.213 -0.761 0 N-CA-C 111.325 -0.298 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -13.59 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.03 -8.54 58.66 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.548 HD11 HD13 ' R' ' 100' ' ' LEU . 21.7 tp -96.4 -41.24 8.71 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mtp-105 -52.8 -21.07 3.73 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -59.92 -66.1 0.57 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.457 ' O ' ' N ' ' R' ' 102' ' ' GLU . 27.5 t90 -72.06 -58.33 3.53 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.55 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.548 HD13 HD11 ' R' ' 96' ' ' LEU . 1.5 tp -38.61 -31.71 0.06 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.38 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.79 -34.65 74.01 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.663 -1.215 . . . . 0.0 110.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 99' ' ' TRP . 33.2 mt-10 -79.25 -19.13 51.39 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.442 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.2 p -99.66 -26.58 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 119.085 -1.046 . . . . 0.0 113.365 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.8 -32.23 9.43 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.87 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 118.651 -1.22 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -120.28 -37.26 3.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.99 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' S' ' 20' ' ' LEU . 8.1 pt-20 -102.32 -28.54 12.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.13 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.457 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 57.9 t-105 -45.1 -16.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.257 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' S' ' 18' ' ' GLU . 24.7 mt -114.11 -57.22 2.3 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.566 -0.853 . . . . 0.0 112.237 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -31.54 8.46 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' S' ' 25' ' ' LEU . 1.3 m-85 -93.97 -53.75 3.86 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.62 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -46.23 -31.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.08 -38.38 82.72 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.266 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' S' ' 22' ' ' PHE . 68.0 mt -69.87 -33.48 72.3 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.06 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.52 -34.64 67.22 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.333 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -22.89 59.89 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.95 -49.9 40.49 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.44 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -60.89 -43.3 98.67 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.173 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.725 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.5 OUTLIER -44.22 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.474 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.3 tp60 -15.12 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 125.085 1.49 . . . . 0.0 113.296 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' S' ' 34' ' ' LEU . 3.7 m-80 -78.04 35.1 0.2 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.725 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 32.35 28.6 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.132 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.0 OUTLIER -93.66 16.88 12.81 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.393 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -89.55 -27.15 20.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.956 -1.097 . . . . 0.0 112.348 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -44.51 -50.96 22.05 Favored Pre-proline 0 N--CA 1.491 1.599 0 C-N-CA 118.502 -1.279 . . . . 0.0 112.754 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -57.03 -65.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 120.074 0.516 . . . . 0.0 111.566 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.605 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -53.44 -34.87 59.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.087 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -55.39 -61.0 2.63 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.57 -39.31 0.71 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.688 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -43.49 -67.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.92 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 8.3 ttt -91.93 46.25 1.26 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.825 -1.15 . . . . 0.0 113.298 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.8 OUTLIER -60.33 -57.32 13.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.312 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.1 OUTLIER 51.69 154.62 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.068 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -67.44 -35.97 21.7 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.325 1.35 . . . . 0.0 111.251 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.33 -71.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.879 -0.729 . . . . 0.0 111.48 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' HG1' ' S' ' 44' ' ' THR . 1.9 mm-40 -40.88 -41.68 1.65 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.243 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -64.98 -60.98 2.44 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.24 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -70.64 5.43 1.88 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' S' ' 51' ' ' LEU . . . -109.92 -42.96 4.09 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.768 -0.773 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' S' ' 50' ' ' ALA . 6.3 tt -42.69 -50.6 5.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . 0.656 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -55.67 -56.95 21.14 Favored Glycine 0 N--CA 1.483 1.8 0 C-N-CA 119.274 -1.441 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . 0.477 ' C ' ' O ' ' S' ' 52' ' ' GLY . 2.1 m -36.53 -30.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.057 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' S' ' 52' ' ' GLY . 2.3 mtp85 -82.61 -42.79 17.78 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.568 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.656 HG12 ' O ' ' S' ' 52' ' ' GLY . 4.7 p -51.36 -17.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 118.128 -1.429 . . . . 0.0 110.124 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.6 OUTLIER -65.26 -60.66 2.75 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.237 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.47 HD11 ' NH2' ' S' ' 54' ' ' ARG . 0.5 OUTLIER -49.96 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 118.771 -1.171 . . . . 0.0 111.571 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' S' ' 57' ' ' ILE . 67.9 t -36.72 -52.85 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.235 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' S' ' 60' ' ' GLU . 3.9 tm-20 -58.4 -60.1 4.31 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' S' ' 60' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.382 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -86.23 -23.89 26.25 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.335 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.552 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -73.83 -43.28 59.23 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.489 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -30.11 33.33 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -47.19 -63.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.431 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' S' ' 100' ' ' LEU . 48.9 t90 -82.36 -57.43 3.37 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.132 -1.027 . . . . 0.0 112.592 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.552 HD13 HD22 ' S' ' 96' ' ' LEU . 1.8 tp -31.64 -53.08 0.24 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.103 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.78 -40.05 69.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.456 -0.898 . . . . 0.0 112.135 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' S' ' 99' ' ' TRP . 23.0 mt-10 -65.08 -35.9 82.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.1 p -102.4 -30.42 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -65.62 0.99 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.834 -1.147 . . . . 0.0 111.932 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' S' ' 105' ' ' LEU . 2.6 mm? . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 119.246 -0.981 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.47 -10.52 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.176 -1.009 . . . . 0.0 110.675 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.2 OUTLIER -104.24 -36.24 7.71 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.467 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 25.6 t-105 -47.29 -12.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.286 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' R' ' 18' ' ' GLU . 15.9 mt -113.51 -58.96 2.08 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.705 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -49.67 -53.32 25.15 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.7 ' CD1' HG13 ' S' ' 55' ' ' VAL . 1.2 t80 -67.68 -52.79 33.81 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -51.59 -22.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 C-N-CA 118.367 -1.333 . . . . 0.0 110.709 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -25.02 55.41 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.731 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.93 -21.71 37.13 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.168 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.05 39.79 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.322 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . 0.444 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -61.19 -29.93 70.11 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.087 -1.045 . . . . 0.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -56.49 -59.51 4.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.651 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.547 ' CB ' HD21 ' R' ' 38' ' ' LEU . . . -49.45 -52.24 30.37 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 118.365 -1.334 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -45.38 -68.73 0.17 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.325 -1.35 . . . . 0.0 109.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' R' ' 30' ' ' TYR . 13.1 tt0 7.57 -69.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 126.898 2.624 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.663 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.9 OUTLIER -91.2 -93.35 0.14 Allowed 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 117.871 -1.531 . . . . 0.0 107.018 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 91.4 m-20 -148.88 26.65 0.9 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.555 ' H ' HD22 ' R' ' 34' ' ' LEU . 0.5 OUTLIER -87.12 4.68 41.26 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.198 -1.801 . . . . 0.0 114.428 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.45 ' ND1' ' N ' ' R' ' 35' ' ' HIS . 2.4 p-80 -67.18 -54.3 22.42 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 117.21 -1.796 . . . . 0.0 111.841 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.5 mm? -27.87 -62.04 0.19 Allowed Pre-proline 0 N--CA 1.502 2.171 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.7 Cg_endo -52.61 -85.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.981 0 C-N-CA 120.646 0.897 . . . . 0.0 113.152 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' R' ' 29' ' ' ALA . 2.4 pp -52.42 -39.2 60.69 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.309 -1.356 . . . . 0.0 111.173 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 29.3 tp -41.11 -42.06 1.91 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.652 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.6 OUTLIER -66.08 -44.09 85.46 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.552 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' R' ' 38' ' ' LEU . 6.8 tp -60.93 -0.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.449 ' H ' ' C ' ' R' ' 40' ' ' ASN . 18.9 ttt -105.55 -44.95 4.56 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.771 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.587 ' C ' HG23 ' R' ' 44' ' ' THR . 7.1 mt -100.1 -28.38 13.07 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.737 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.587 HG23 ' C ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER 53.18 178.46 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.603 0 C-N-CA 118.48 -1.288 . . . . 0.0 108.195 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -66.22 -51.33 1.15 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.014 1.142 . . . . 0.0 113.415 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -42.37 -59.55 1.8 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.562 -0.855 . . . . 0.0 112.23 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 20.0 mt-10 -78.37 -19.44 53.38 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.355 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' R' ' 50' ' ' ALA . 10.7 ttt180 -53.01 -49.53 66.04 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -14.89 1.96 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.385 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' R' ' 47' ' ' GLU . . . -85.53 -39.93 16.88 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' R' ' 50' ' ' ALA . 3.7 tt -45.78 -53.55 9.39 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.33 -57.73 6.25 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 12.9 m -58.26 -16.43 13.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . 0.457 ' NH2' ' OG1' ' S' ' 44' ' ' THR . 0.0 OUTLIER -84.76 -63.18 1.38 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.507 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.711 HG23 ' CD2' ' S' ' 22' ' ' PHE . 1.5 p -45.27 -25.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.5 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' R' ' 54' ' ' ARG . 16.5 ttm180 -60.9 -60.22 4.13 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.054 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' S' ' 42' ' ' MET . 0.9 OUTLIER -44.55 -57.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.757 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.873 HG13 HD11 ' R' ' 100' ' ' LEU . 76.5 t -48.93 -60.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.373 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.12 -42.09 6.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -45.68 25.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.964 -1.095 . . . . 0.0 111.582 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.304 -1.408 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.288 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 C--O 1.216 -0.592 0 N-CA-C 109.99 -0.812 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' R' ' 96' ' ' LEU . 0.0 OUTLIER -52.15 -19.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.95 1.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.468 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.7 tp -94.42 -45.01 7.63 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.355 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' R' ' 97' ' ' ARG . 6.2 mtt85 -49.71 -21.87 1.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.803 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' R' ' 96' ' ' LEU . 18.2 mm-40 -52.99 -65.31 0.58 Allowed 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.854 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 40.3 t90 -77.54 -56.53 4.45 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 118.57 -1.252 . . . . 0.0 110.669 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.873 HD11 HG13 ' R' ' 58' ' ' VAL . 4.0 tp -35.61 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' R' ' 99' ' ' TRP . 2.9 tt0 -78.13 -37.78 45.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.339 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.3 mt-10 -74.63 -10.61 59.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.65 -34.04 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 118.999 -1.08 . . . . 0.0 113.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.23 -65.54 0.96 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--N 1.301 -1.529 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.54 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.3 p-80 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.137 0.494 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -80.6 -65.86 0.96 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.629 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -63.6 -14.64 53.54 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.931 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -56.23 -16.43 5.36 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.51 -51.36 2.88 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.633 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -49.35 -50.33 40.34 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.711 ' CD2' HG23 ' R' ' 55' ' ' VAL . 34.4 t80 -75.59 -53.33 8.78 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 118.292 -1.363 . . . . 0.0 113.805 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' S' ' 22' ' ' PHE . 14.7 m -44.85 -27.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 118.284 -1.366 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.1 OUTLIER -60.15 -43.06 96.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' S' ' 22' ' ' PHE . 70.8 mt -61.96 -33.1 73.68 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.389 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -47.26 -34.75 6.91 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 118.503 -1.279 . . . . 0.0 109.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -70.81 -46.86 62.04 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.454 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . 0.698 ' H ' HD22 ' S' ' 28' ' ' ASN . 1.9 m-80 -47.35 -42.91 22.46 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.39 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.854 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -76.83 -45.21 29.38 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.748 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.6 OUTLIER -48.11 -81.94 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.601 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.55 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -15.78 -67.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 125.066 1.479 . . . . 0.0 112.923 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 9.1 m-20 -74.95 35.3 0.1 Allowed 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.002 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.748 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 30.79 28.66 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 O-C-N 124.268 0.98 . . . . 0.0 111.913 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 3.6 mt -92.16 14.78 15.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.831 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.54 -29.98 33.31 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.143 -1.423 . . . . 0.0 110.738 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -37.96 -55.06 2.33 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.59 -66.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 CA-C-N 119.09 0.711 . . . . 0.0 111.203 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.654 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -50.61 -31.16 15.18 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.095 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -53.08 -56.99 11.95 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.754 -1.178 . . . . 0.0 108.506 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -31.37 35.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 26.8 tp -55.98 -28.29 56.46 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . 0.561 ' SD ' HD11 ' R' ' 57' ' ' ILE . 1.3 mpp? -106.59 10.92 31.01 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.719 -0.792 . . . . 0.0 112.5 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.96 -1.11 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.524 ' H ' ' C ' ' S' ' 42' ' ' MET . 0.0 OUTLIER -43.67 159.97 0.22 Allowed Pre-proline 0 C--N 1.302 -1.47 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.207 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.23 -24.31 15.03 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.361 1.374 . . . . 0.0 111.508 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.67 -41.16 96.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -44.86 10.04 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.73 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -46.01 -57.24 4.59 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -61.29 -15.29 33.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.228 -0.989 . . . . 0.0 110.76 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 -5.73 33.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.034 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -81.27 -82.05 0.13 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.526 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' S' ' 51' ' ' LEU . . . -45.54 -34.28 4.94 Favored Glycine 0 N--CA 1.482 1.718 0 C-N-CA 119.472 -1.347 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -65.36 -54.75 24.35 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.847 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.428 ' NH2' HD13 ' R' ' 38' ' ' LEU . 11.0 tpt180 -45.52 -29.03 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.7 HG13 ' CD1' ' R' ' 22' ' ' PHE . 17.3 t -82.48 -37.0 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.998 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.493 ' NH1' ' OE1' ' S' ' 59' ' ' GLU . 0.1 OUTLIER -63.66 -60.93 2.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -41.29 -77.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.398 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' S' ' 57' ' ' ILE . 72.1 t -35.65 -52.23 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.846 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . 0.493 ' OE1' ' NH1' ' S' ' 56' ' ' ARG . 20.0 tt0 -55.78 -74.01 0.05 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.872 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.49 1.547 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.752 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -78.72 -9.8 59.55 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.521 ' O ' HD23 ' S' ' 96' ' ' LEU . 1.2 tt -93.84 -44.76 7.96 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.311 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -54.29 -15.59 1.68 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.663 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' S' ' 96' ' ' LEU . 41.4 mm-40 -51.75 -59.43 4.3 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.438 ' CH2' HG21 ' S' ' 103' ' ' VAL . 40.6 t90 -85.96 -49.27 7.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.056 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -43.5 -40.88 4.11 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.736 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.15 -24.64 27.42 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.39 -7.67 22.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.3 OUTLIER -97.75 -40.39 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . 0.43 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 2.9 tp -106.3 -27.02 11.26 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.41 -0.916 . . . . 0.0 112.356 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 110.521 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.589 0.233 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.6 mt-30 -83.89 -82.22 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' R' ' 20' ' ' LEU . 7.5 mt-10 -42.01 -27.12 0.11 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.45 ' HE1' HD21 ' S' ' 36' ' ' LEU . 68.4 t-105 -48.61 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.664 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' R' ' 18' ' ' GLU . 16.1 mt -118.17 -70.56 0.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.565 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -44.82 7.5 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 48.2 m-85 -87.07 -47.68 8.71 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 118.359 -1.337 . . . . 0.0 112.404 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -50.18 -21.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 C-N-CA 118.228 -1.389 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 86.8 m-20 -74.29 -38.65 63.32 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.242 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.42 -31.93 73.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.83 -45.86 92.8 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' ND2' ' R' ' 28' ' ' ASN . 0.3 OUTLIER -64.35 -20.52 66.16 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.45 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . 0.422 ' ND2' ' NZ ' ' R' ' 27' ' ' LYS . 0.8 OUTLIER -70.8 -53.49 15.16 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.298 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.553 ' HB2' ' CZ3' ' S' ' 99' ' ' TRP . . . -56.33 -37.84 70.51 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.279 -1.368 . . . . 0.0 108.767 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -58.96 -69.5 0.19 Allowed 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 118.218 -1.393 . . . . 0.0 109.83 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.2 OUTLIER 7.51 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 126.794 2.559 . . . . 0.0 111.09 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.691 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.9 t-20 -93.05 -92.76 0.16 Allowed 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 42.1 m-20 -152.74 23.71 0.59 Allowed 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.3 mp -82.49 14.84 2.81 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 117.916 -1.514 . . . . 0.0 114.1 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -88.18 -42.7 12.15 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.3 -1.36 . . . . 0.0 109.967 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' R' ' 35' ' ' HIS . 2.0 mm? -27.56 -59.69 0.21 Allowed Pre-proline 0 N--CA 1.5 2.059 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.39 -76.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 120.427 0.751 . . . . 0.0 112.584 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.726 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.736 -1.185 . . . . 0.0 110.316 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.609 HD13 ' C ' ' R' ' 39' ' ' LEU . 2.2 tm? -46.79 -63.22 1.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.409 -1.316 . . . . 0.0 107.968 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -46.1 -36.68 6.04 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.705 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.56 -18.46 2.87 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.47 25.65 10.13 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.591 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.04 13.42 2.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -43.3 150.26 0.51 Allowed Pre-proline 0 N--CA 1.491 1.604 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -48.13 -30.78 15.09 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.05 1.167 . . . . 0.0 111.876 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -56.58 19.38 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.814 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.02 -45.79 66.47 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -39.81 -57.54 1.54 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.706 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' R' ' 51' ' ' LEU . 97.3 mt-10 -59.56 -61.19 2.8 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.516 -0.874 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.83 -11.14 0.05 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.353 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' R' ' 49' ' ' GLU . 0.1 OUTLIER -78.76 -70.52 0.49 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.055 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.79 -26.63 11.15 Favored Glycine 0 N--CA 1.483 1.805 0 C-N-CA 119.259 -1.448 . . . . 0.0 110.565 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.0 OUTLIER -70.06 -50.37 41.76 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.788 -1.165 . . . . 0.0 110.011 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.21 -33.29 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -68.26 0.18 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.25 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' R' ' 57' ' ' ILE . 61.6 t -34.16 -56.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.425 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' R' ' 60' ' ' GLU . 73.3 mm-40 -65.01 -67.2 0.46 Allowed 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.5 mm-40 -33.57 -42.11 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.485 1.293 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.534 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo . . . . . 0 C--O 1.214 -0.706 0 N-CA-C 110.058 -0.785 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . 0.408 HG23 ' H ' ' R' ' 94' ' ' VAL . 0.0 OUTLIER -56.13 -14.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.04 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.99 -23.65 62.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.033 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.48 ' C ' ' N ' ' R' ' 98' ' ' GLN . 23.1 tp -82.73 -45.38 14.48 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.642 -0.823 . . . . 0.0 109.839 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -49.93 -18.52 0.53 Allowed 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.135 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.48 ' N ' ' C ' ' R' ' 96' ' ' LEU . 89.6 mt-30 -52.29 -53.4 44.51 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.547 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 30.4 t90 -95.43 -55.08 3.16 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.771 -1.172 . . . . 0.0 111.52 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tp -45.79 -44.67 14.22 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.43 -2.58 3.37 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.706 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.6 -22.63 11.87 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.82 -34.44 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.493 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -44.99 15.23 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' R' ' 105' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.331 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.751 0.31 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.02 -45.7 10.51 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.915 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' S' ' 20' ' ' LEU . 8.7 pt-20 -66.4 -36.66 83.38 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.349 -0.94 . . . . 0.0 112.009 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' S' ' 19' ' ' TRP . 25.3 t-105 -58.88 -3.33 0.32 Allowed 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.533 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' S' ' 18' ' ' GLU . 20.6 mt -114.26 -40.67 3.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.147 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.79 95.67 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.285 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -72.62 -61.64 1.73 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.623 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.518 HG23 ' N ' ' S' ' 24' ' ' ASP . 33.0 m -42.3 -42.76 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 119.4 -0.92 . . . . 0.0 111.819 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.518 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.7 OUTLIER -51.72 -37.18 49.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.71 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -80.37 -24.62 39.65 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.713 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -72.89 -43.08 62.9 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -50.66 -49.36 57.33 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -64.32 -45.59 87.25 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -44.94 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.191 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' S' ' 30' ' ' TYR . 13.0 tt0 -9.5 -69.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.038 1.461 . . . . 0.0 113.668 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' S' ' 34' ' ' LEU . 19.0 m-20 -84.17 38.69 0.67 Allowed 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.1 t70 32.91 28.61 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.365 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.7 OUTLIER -88.87 15.7 8.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.452 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 46.8 p-80 -99.33 -6.87 27.14 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.45 HD21 ' HE1' ' R' ' 19' ' ' TRP . 2.1 mt -54.17 -47.78 96.26 Favored Pre-proline 0 C--N 1.3 -1.584 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' S' ' 40' ' ' ASN . 1.8 Cg_endo -66.71 -61.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 120.318 0.679 . . . . 0.0 111.228 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.667 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.6 -38.84 56.4 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.521 -1.271 . . . . 0.0 108.42 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 23.1 tp -58.95 -31.08 68.39 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.129 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.0 OUTLIER -81.79 -8.62 59.71 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.929 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . 0.459 HD23 HD22 ' R' ' 96' ' ' LEU . 0.2 OUTLIER -62.74 -46.15 89.38 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.589 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 2.4 tpt -105.91 39.23 1.82 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.91 ' O ' HD12 ' S' ' 43' ' ' LEU . 0.3 OUTLIER -67.82 -0.36 4.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.129 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.456 ' C ' ' O ' ' S' ' 43' ' ' LEU . 0.7 OUTLIER -36.94 155.38 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.611 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -50.43 -12.87 0.58 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 120.899 1.066 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' S' ' 44' ' ' THR . 0.1 OUTLIER -66.78 -65.41 0.68 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.038 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.86 -40.05 72.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.845 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -56.9 -48.04 79.14 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.676 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . 0.404 ' O ' ' OG1' ' S' ' 53' ' ' THR . 11.7 mt-10 -61.43 -4.01 1.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.749 -0.781 . . . . 0.0 111.268 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -114.16 -40.96 3.58 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.55 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.2 tm? -47.73 -76.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.403 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.99 -41.21 44.91 Favored Glycine 0 N--CA 1.482 1.742 0 C-N-CA 119.252 -1.452 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -69.94 -19.33 63.38 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.68 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' S' ' 50' ' ' ALA . 28.3 ttm180 -79.0 -30.35 44.23 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.171 -1.011 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.457 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.7 OUTLIER -83.35 -28.13 7.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.158 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.34 -61.8 2.36 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.341 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.458 HG13 ' H ' ' S' ' 58' ' ' VAL . 0.5 OUTLIER -38.95 -72.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.025 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.747 HG13 HD11 ' S' ' 100' ' ' LEU . 60.4 t -37.7 -64.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.93 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.76 10.81 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 . . . . . 0 N--CA 1.496 1.837 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.681 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.958 0.408 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.89 -17.1 17.77 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.494 HD11 HD13 ' S' ' 100' ' ' LEU . 29.0 tp -83.84 -39.16 20.27 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -54.19 -31.74 53.75 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.32 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -66.19 0.37 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.696 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' R' ' 29' ' ' ALA . 34.9 t90 -86.48 -54.69 4.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 118.736 -1.186 . . . . 0.0 113.368 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.747 HD11 HG13 ' S' ' 58' ' ' VAL . 4.1 tp -36.19 -58.82 0.66 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -49.62 -26.73 3.86 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.525 -1.27 . . . . 0.0 111.785 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -83.36 -28.33 29.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.987 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 1.1 p -91.5 -35.94 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.386 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 0.1 OUTLIER -83.87 -49.71 8.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.748 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.489 1.497 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.325 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -84.12 -74.2 0.39 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.281 -0.967 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' R' ' 20' ' ' LEU . 2.2 mt-10 -51.1 -32.95 24.09 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.657 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 49.1 t-105 -57.61 -1.34 0.09 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' R' ' 18' ' ' GLU . 81.7 mt -119.99 -64.82 1.22 Allowed 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.925 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -59.67 -29.73 68.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -89.29 -50.37 6.17 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.509 -1.276 . . . . 0.0 112.143 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.37 -30.86 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 117.717 -1.593 . . . . 0.0 108.736 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.32 -49.44 67.04 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 118.766 -1.173 . . . . 0.0 109.241 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . 0.719 ' N ' HD12 ' R' ' 25' ' ' LEU . 8.2 mp -61.51 -31.82 71.84 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -53.27 -55.67 22.74 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.217 -1.393 . . . . 0.0 109.457 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -59.82 -29.81 68.51 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.033 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -60.93 -43.55 98.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.425 -1.31 . . . . 0.0 109.418 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.464 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -59.73 -53.9 52.63 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' R' ' 32' ' ' ASN . 11.7 m-85 -45.01 -71.4 0.08 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.583 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' R' ' 30' ' ' TYR . 2.1 tp60 8.69 -69.15 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.872 2.608 . . . . 0.0 110.968 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.674 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.8 OUTLIER -91.63 -90.02 0.17 Allowed 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 0.3 OUTLIER -153.43 21.47 0.55 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' S' ' 99' ' ' TRP . 4.0 mm? -81.99 12.09 4.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 117.123 -1.831 . . . . 0.0 113.167 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.507 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 2.2 p-80 -77.24 -52.23 9.57 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 117.154 -1.818 . . . . 0.0 110.418 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.507 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 3.8 mt -32.12 -57.46 0.44 Allowed Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.85 -72.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 119.224 0.759 . . . . 0.0 112.094 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.714 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -39.83 59.47 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.556 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.9 tp -60.37 -41.46 93.77 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.61 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -23.69 67.38 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' R' ' 41' ' ' LEU . 0.2 OUTLIER -51.69 -55.45 19.47 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 118.431 -1.307 . . . . 0.0 109.094 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 5.0 ttp -106.28 55.75 0.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.818 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.1 OUTLIER -86.79 9.6 18.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.464 ' C ' ' O ' ' R' ' 43' ' ' LEU . 77.8 p -34.01 147.14 0.12 Allowed Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.564 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.05 -31.7 36.07 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.406 1.404 . . . . 0.0 111.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -38.41 76.95 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.196 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 10.4 tp10 -77.17 -56.31 4.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' R' ' 50' ' ' ALA . 13.5 ttp180 -50.27 -52.25 37.89 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.457 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -50.25 -16.45 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' R' ' 48' ' ' ARG . . . -97.35 -46.62 6.02 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.508 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.409 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 5.6 tt -46.5 -60.77 2.15 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.099 -1.04 . . . . 0.0 110.64 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.41 -58.03 4.14 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . 0.555 ' O ' ' N ' ' R' ' 55' ' ' VAL . 53.2 m -56.58 -68.72 0.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.811 -0.756 . . . . 0.0 112.23 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . 0.56 ' HA ' HD11 ' R' ' 57' ' ' ILE . 37.8 ttm105 -40.0 -19.28 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.441 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' R' ' 53' ' ' THR . 2.3 t -96.53 -38.07 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 119.716 -0.794 . . . . 0.0 112.602 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' R' ' 57' ' ' ILE . 38.4 mtt85 -64.19 -52.2 60.07 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.141 -1.023 . . . . 0.0 112.519 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' R' ' 54' ' ' ARG . 0.3 OUTLIER -44.97 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.693 HG21 HD21 ' S' ' 38' ' ' LEU . 17.0 t -34.33 -52.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 124.194 0.934 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.0 -76.8 0.05 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.336 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -51.38 -11.58 0.12 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.269 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' R' ' 57' ' ' ILE . 12.6 mt . . . . . 0 C--N 1.303 -1.437 0 C-N-CA 118.572 -1.251 . . . . 0.0 111.566 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 C--O 1.216 -0.619 0 N-CA-C 110.857 -0.478 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.34 -19.28 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.64 -16.39 24.36 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.649 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.604 HD11 HD13 ' R' ' 100' ' ' LEU . 30.1 tp -87.14 -43.26 12.39 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -20.4 1.36 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' R' ' 96' ' ' LEU . 27.6 mt-30 -51.75 -61.66 2.12 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.523 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.607 ' CH2' HG21 ' R' ' 103' ' ' VAL . 40.7 t90 -88.21 -50.95 6.04 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 118.613 -1.235 . . . . 0.0 112.213 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.604 HD13 HD11 ' R' ' 96' ' ' LEU . 2.1 tp -41.72 -38.59 1.48 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.56 -3.94 1.71 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' R' ' 100' ' ' LEU . 21.7 mt-10 -113.1 -28.33 7.7 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.352 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.607 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.6 p -85.04 -28.01 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.964 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.68 -11.8 10.95 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.622 -0.831 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' R' ' 105' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.008 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.009 0.433 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.66 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' S' ' 20' ' ' LEU . 0.9 OUTLIER -44.5 -64.76 0.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.536 0.684 . . . . 0.0 111.851 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.424 ' O ' HG21 ' S' ' 23' ' ' VAL . 68.2 t-105 -42.67 -12.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.465 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' S' ' 18' ' ' GLU . 78.9 mt -116.81 -67.66 0.98 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.792 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -45.8 -47.1 15.77 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.481 ' C ' ' N ' ' S' ' 24' ' ' ASP . 32.4 m-85 -83.38 -49.17 9.6 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.141 -1.424 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.424 HG21 ' O ' ' S' ' 19' ' ' TRP . 22.1 t -48.82 -16.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.692 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.2 OUTLIER -71.94 -40.82 68.45 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.628 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.54 -27.51 66.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.209 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -35.56 64.91 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.121 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -47.93 58.31 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.863 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.17 -47.44 9.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -67.74 -46.01 73.34 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.667 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.741 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.7 m-85 -51.69 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.7 tt0 -16.65 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.315 1.635 . . . . 0.0 112.899 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.609 ' O ' ' N ' ' S' ' 34' ' ' LEU . 25.0 m120 -74.5 32.47 0.09 Allowed 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.741 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.9 OUTLIER 32.1 27.19 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.049 0.843 . . . . 0.0 111.695 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.1 mp -97.14 16.18 20.46 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.002 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 6.5 p-80 -91.24 -7.04 52.37 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 0.7 OUTLIER -46.14 -52.94 24.78 Favored Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.276 -1.37 . . . . 0.0 111.979 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.2 Cg_exo -60.58 -69.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.946 0 N-CA-C 110.023 -0.799 . . . . 0.0 110.023 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.693 HD21 HG21 ' R' ' 58' ' ' VAL . 0.5 OUTLIER -42.23 -56.72 2.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.946 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.442 HD21 ' CZ2' ' R' ' 19' ' ' TRP . 40.3 tp -43.76 -47.74 7.99 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.55 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -14.23 59.4 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 55.0 tp -42.87 -56.2 3.36 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.753 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 3.4 tpt -152.76 64.99 0.79 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.604 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.8 pp -67.71 -9.1 40.74 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.175 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.428 ' O ' ' O ' ' S' ' 43' ' ' LEU . 2.2 m 59.06 133.39 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.467 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' S' ' 46' ' ' ASP . 2.2 Cg_endo -58.2 -52.25 6.1 Favored 'Trans proline' 0 C--O 1.217 -0.529 0 C-N-CA 120.523 0.816 . . . . 0.0 111.3 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' S' ' 45' ' ' PRO . 0.0 OUTLIER -40.49 -42.65 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.206 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' S' ' 51' ' ' LEU . 6.2 tp10 -69.05 -46.97 66.52 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.855 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -37.55 -46.98 0.89 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.41 -53.55 13.69 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.36 16.5 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -68.31 -68.51 0.39 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.09 -50.56 33.18 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 118.932 -1.604 . . . . 0.0 109.539 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . 0.631 HG23 HH12 ' S' ' 56' ' ' ARG . 0.2 OUTLIER -52.46 -38.05 58.46 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.858 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.441 ' C ' ' CD ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.59 -54.92 32.39 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.209 -0.997 . . . . 0.0 111.164 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.424 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.7 OUTLIER -50.41 -29.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.257 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.631 HH12 HG23 ' S' ' 53' ' ' THR . 22.0 ttm180 -59.24 -54.53 45.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.784 -1.166 . . . . 0.0 111.854 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.51 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.1 pt -45.86 -46.32 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 118.599 -1.24 . . . . 0.0 110.582 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.934 HG13 HD11 ' S' ' 100' ' ' LEU . 21.4 t -50.79 -59.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -53.12 -55.44 24.04 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.488 1.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.088 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' S' ' 96' ' ' LEU . 2.4 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.301 0.572 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -0.43 6.22 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.157 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.661 HD13 ' C ' ' S' ' 96' ' ' LEU . 1.7 tm? -77.37 -57.06 4.03 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . 0.585 ' N ' HD13 ' S' ' 96' ' ' LEU . 6.5 mtm-85 -48.63 -35.85 14.59 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.171 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.61 -70.24 0.15 Allowed 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.985 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.579 ' HB2' HD12 ' R' ' 34' ' ' LEU . 26.8 t90 -50.13 -68.02 0.21 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 117.572 -1.651 . . . . 0.0 110.106 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.934 HD11 HG13 ' S' ' 58' ' ' VAL . 4.2 tp -28.43 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.915 -1.039 . . . . 0.0 112.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.9 tt0 -70.3 -57.77 4.5 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -50.08 -26.74 4.72 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.412 HG12 ' H ' ' S' ' 103' ' ' VAL . 2.6 p -89.68 -34.09 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 118.535 -1.266 . . . . 0.0 113.304 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.84 -36.12 16.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.561 -1.256 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 C-N-CA 118.42 -1.312 . . . . 0.0 110.26 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' R' ' 16' ' ' HIS . 1.9 t60 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 120.943 0.401 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' H ' ' R' ' 17' ' ' GLN . 0.0 OUTLIER -96.73 10.78 37.74 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.762 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -130.42 -68.26 0.7 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.434 ' CZ3' ' HG ' ' S' ' 51' ' ' LEU . 69.0 t-105 -41.43 -30.89 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.01 -57.47 2.02 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.997 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -52.08 -29.29 20.82 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.544 ' CG ' HG22 ' S' ' 55' ' ' VAL . 73.1 t80 -85.08 -57.66 3.0 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 117.742 -1.583 . . . . 0.0 112.904 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.58 -27.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 C-N-CA 117.832 -1.547 . . . . 0.0 109.971 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -36.26 77.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.128 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.34 -45.53 59.48 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.065 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tp -44.69 -47.92 10.63 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.268 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.65 72.94 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.168 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -47.25 85.87 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' S' ' 99' ' ' TRP . . . -67.49 -50.96 56.6 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 118.419 -1.313 . . . . 0.0 110.189 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -43.98 -53.48 6.19 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.121 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' R' ' 30' ' ' TYR . 66.3 tt0 -3.83 -66.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 111.681 -2.509 . . . . 0.0 111.023 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 3.0 t-20 -101.46 -92.37 0.31 Allowed 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 116.936 -1.905 . . . . 0.0 108.505 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 12.8 m-20 -132.31 15.42 4.57 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.696 ' N ' HD23 ' R' ' 34' ' ' LEU . 0.2 OUTLIER -81.88 4.45 22.36 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.69 -55.07 10.98 Favored 'General case' 0 C--N 1.287 -2.15 0 C-N-CA 117.048 -1.861 . . . . 0.0 109.924 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.487 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.1 tp -38.56 -56.72 2.15 Favored Pre-proline 0 N--CA 1.505 2.281 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.73 -59.91 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 CA-C-N 120.101 1.072 . . . . 0.0 111.699 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.687 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -76.45 -49.32 16.93 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.516 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' R' ' 35' ' ' HIS . 30.1 tp -43.67 -36.97 2.39 Favored 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.801 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' R' ' 41' ' ' LEU . 20.3 t-20 -74.14 -29.21 61.69 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.439 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.452 HD13 ' O ' ' R' ' 41' ' ' LEU . 0.1 OUTLIER -39.03 -37.36 0.36 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.551 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -116.26 62.36 0.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.93 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.1 OUTLIER -85.32 -5.88 59.28 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.377 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -34.94 161.32 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.786 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.65 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.21 -18.61 18.57 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.259 1.306 . . . . 0.0 111.681 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -68.9 -37.53 79.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.925 -1.11 . . . . 0.0 111.333 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.8 -44.67 12.28 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.664 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -51.7 -43.37 62.75 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.059 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -72.7 -35.13 67.56 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.51 48.4 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.389 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.14 -57.76 3.57 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 118.643 -1.223 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.26 -48.49 32.98 Favored Glycine 0 N--CA 1.484 1.886 0 C-N-CA 119.237 -1.458 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . 0.4 ' O ' HG22 ' R' ' 57' ' ' ILE . 92.8 m -64.76 -44.42 90.14 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.677 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -65.01 -16.1 63.06 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.511 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.58 -33.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 121.832 0.825 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -61.52 -59.28 5.47 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.548 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' R' ' 61' ' ' LEU . 0.4 OUTLIER -46.88 -68.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.117 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -36.86 -59.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 119.443 -0.903 . . . . 0.0 112.734 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -62.69 -34.74 77.76 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.643 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -89.74 -11.18 43.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.411 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . 0.809 ' O ' HD12 ' R' ' 61' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.307 -1.279 0 C-N-CA 118.108 -1.437 . . . . 0.0 110.2 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' R' ' 95' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.213 -0.759 0 N-CA-C 110.437 -0.64 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.16 -7.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' R' ' 93' ' ' PRO . 65.8 mt-10 -84.09 -27.91 27.91 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.965 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.639 HD22 HD12 ' R' ' 100' ' ' LEU . 0.9 OUTLIER -72.14 -44.59 62.89 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.279 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -50.96 -24.53 3.73 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.776 -0.769 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.75 -65.63 0.64 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.019 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.497 ' HE1' ' CB ' ' S' ' 32' ' ' ASN . 35.2 t90 -65.17 -56.17 14.41 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.078 -1.449 . . . . 0.0 111.239 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.639 HD12 HD22 ' R' ' 96' ' ' LEU . 0.5 OUTLIER -39.36 -44.2 1.29 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.317 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.97 -33.76 76.07 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 118.296 -1.361 . . . . 0.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.51 -41.37 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.424 -0.91 . . . . 0.0 113.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.401 HG12 ' H ' ' R' ' 103' ' ' VAL . 2.0 p -82.78 -41.99 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.23 -48.7 13.72 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 117.977 -1.489 . . . . 0.0 112.551 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.494 1.774 0 C-N-CA 119.904 -0.718 . . . . 0.0 112.869 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -94.85 -28.01 15.44 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.6 mt-10 -99.21 -44.97 6.05 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.938 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.411 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 61.2 t-105 -44.92 -15.91 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.786 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' S' ' 22' ' ' PHE . 19.5 mt -114.08 -70.29 0.81 Allowed 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.578 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' S' ' 20' ' ' LEU . 8.2 ttt180 -34.07 -30.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' S' ' 20' ' ' LEU . 66.5 m-85 -101.19 -44.98 5.51 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.31 -18.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 117.13 -1.828 . . . . 0.0 109.655 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -33.23 73.71 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.62 -36.27 80.5 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.545 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' S' ' 26' ' ' LEU . 3.2 tp -48.72 -43.88 37.76 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.484 -1.287 . . . . 0.0 109.551 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.54 -44.7 77.01 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . 0.728 HD22 ' N ' ' S' ' 28' ' ' ASN . 1.0 OUTLIER -48.96 -53.96 17.58 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.861 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.36 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.133 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.73 ' C ' ' O ' ' S' ' 29' ' ' ALA . 23.7 m-85 -12.93 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.325 -1.35 . . . . 0.0 111.279 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' S' ' 29' ' ' ALA . 31.0 tt0 -69.19 -39.22 78.82 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' S' ' 29' ' ' ALA . 6.7 m-80 -100.77 -19.3 16.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.951 ' O ' ' N ' ' S' ' 35' ' ' HIS . 32.0 t0 -104.37 15.64 27.81 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 1.032 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 16.03 29.05 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.569 -179.443 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.951 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.7 OUTLIER 9.85 12.67 0.0 OUTLIER 'General case' 0 C--O 1.182 -2.465 0 C-N-CA 129.884 3.274 . . . . 0.0 116.708 -178.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.694 ' N ' ' O ' ' S' ' 34' ' ' LEU . 1.9 mm? -73.05 -51.54 6.06 Favored Pre-proline 0 C--N 1.283 -2.288 0 C-N-CA 115.493 -2.483 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.9 Cg_exo -59.17 -54.44 2.66 Favored 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 120.939 1.092 . . . . 0.0 114.802 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.626 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -79.15 -44.72 21.4 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.329 -1.349 . . . . 0.0 111.801 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.569 ' HB3' ' O ' ' S' ' 35' ' ' HIS . 46.3 tp -50.46 -36.0 31.51 Favored 'General case' 0 N--CA 1.516 2.845 0 C-N-CA 116.609 -2.036 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' S' ' 41' ' ' LEU . 0.6 OUTLIER -59.65 -53.1 61.96 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.628 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -29.3 -45.29 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.64 179.779 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . 0.446 ' C ' ' H ' ' S' ' 44' ' ' THR . 58.9 mmm -82.64 40.91 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.546 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' S' ' 40' ' ' ASN . 1.0 OUTLIER -68.16 11.17 0.17 Allowed 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.153 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.446 ' H ' ' C ' ' S' ' 42' ' ' MET . 20.1 p -52.09 152.49 5.65 Favored Pre-proline 0 N--CA 1.495 1.782 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -58.49 -40.59 73.14 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 121.068 1.179 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.9 80.1 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.674 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.43 -58.39 7.8 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -52.09 -47.82 65.04 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.017 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.81 -22.84 64.56 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.678 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.32 -12.19 24.79 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.023 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.596 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.9 tm? -81.37 -69.93 0.57 Allowed 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.73 -38.99 10.35 Favored Glycine 0 N--CA 1.483 1.807 0 C-N-CA 119.487 -1.34 . . . . 0.0 110.059 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -66.66 -48.62 68.79 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -50.86 -20.97 1.47 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' R' ' 22' ' ' PHE . 41.5 t -88.35 -32.81 6.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.239 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.44 -27.81 66.51 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.425 -0.91 . . . . 0.0 112.982 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -72.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 49.3 t -48.66 -63.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -46.43 -68.41 0.2 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.419 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 N--CA 1.493 1.686 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.757 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.753 0.311 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.4 4.18 36.62 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.431 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tt -82.82 -56.73 3.65 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -29.76 4.97 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.926 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -55.31 -64.56 0.8 Allowed 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.103 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' S' ' 100' ' ' LEU . 33.6 t90 -63.82 -65.05 0.73 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.552 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.1 tp -26.45 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 114.496 -1.229 . . . . 0.0 113.843 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' S' ' 99' ' ' TRP . 4.0 mt-10 -63.39 -51.4 66.0 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.427 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' S' ' 99' ' ' TRP . 45.2 mt-10 -63.87 -20.2 65.65 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.3 p -96.84 -49.48 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.391 -1.324 . . . . 0.0 112.723 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.39 -69.42 0.65 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.874 -1.131 . . . . 0.0 111.885 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.874 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' R' ' 18' ' ' GLU . 4.0 m-70 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.66 0.267 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -72.61 25.13 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.392 -0.923 . . . . 0.0 111.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' R' ' 16' ' ' HIS . 8.3 pt-20 -166.72 -34.03 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.703 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -52.18 -26.83 12.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.98 -53.92 2.65 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -38.8 -48.73 1.56 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.727 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.94 -49.36 9.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.203 -0.999 . . . . 0.0 112.326 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.19 -30.91 13.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.747 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -29.38 70.0 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.284 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.26 -26.61 58.96 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.58 -69.61 0.11 Allowed 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.914 -1.114 . . . . 0.0 111.265 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -21.72 11.49 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.027 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.54 56.09 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.501 -1.679 . . . . 0.0 108.704 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.41 -49.35 72.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.926 -1.509 . . . . 0.0 109.04 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.8 m-85 -46.73 -54.96 8.61 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 117.855 -1.538 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.5 tt0 -4.19 -56.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 126.852 2.595 . . . . 0.0 112.574 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.9 t-20 -109.02 -93.06 0.42 Allowed 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.316 -1.754 . . . . 0.0 109.035 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.467 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 66.6 m-20 -134.21 17.41 3.75 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.15 7.08 33.45 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 116.66 -2.016 . . . . 0.0 115.958 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.86 -69.98 0.31 Allowed 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 117.674 -1.61 . . . . 0.0 110.76 179.534 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.508 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 2.8 mm? -28.18 -64.73 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -57.16 -68.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 120.499 0.799 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' S' ' 96' ' ' LEU . 0.4 OUTLIER -58.28 -64.18 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.11 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' R' ' 35' ' ' HIS . 29.4 tp -27.45 -40.27 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 124.419 1.074 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' R' ' 38' ' ' LEU . 1.9 t30 -63.11 -52.2 63.52 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.581 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 38' ' ' LEU . 5.1 tp -55.11 -8.58 0.3 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.32 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . 0.522 ' O ' ' NE ' ' S' ' 54' ' ' ARG . 3.7 mtt -104.47 -53.78 2.65 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.544 -0.863 . . . . 0.0 111.701 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.464 HD23 ' OE1' ' R' ' 47' ' ' GLU . 8.5 mt -77.69 -55.99 4.89 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.807 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' R' ' 43' ' ' LEU . 0.4 OUTLIER 75.18 152.87 0.14 Allowed Pre-proline 0 N--CA 1.495 1.804 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.669 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' R' ' 48' ' ' ARG . 6.0 Cg_exo -55.14 -55.46 3.15 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.331 1.354 . . . . 0.0 112.49 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' R' ' 45' ' ' PRO . 15.8 t70 -40.04 -33.08 0.2 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.044 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . 0.464 ' OE1' HD23 ' R' ' 43' ' ' LEU . 31.8 tt0 -94.68 -24.32 17.2 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.682 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' R' ' 45' ' ' PRO . 44.6 ttt-85 -52.04 -45.3 64.62 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -45.25 -21.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.934 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' R' ' 48' ' ' ARG . . . -91.01 -46.24 8.26 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.428 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 4.9 tt -43.08 -49.04 6.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.484 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.69 -56.76 14.36 Favored Glycine 0 N--CA 1.486 1.986 0 C-N-CA 119.117 -1.516 . . . . 0.0 109.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -43.61 -37.02 2.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.83 -39.9 91.28 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.184 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' R' ' 59' ' ' GLU . 0.3 OUTLIER -62.56 -22.35 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.099 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -62.64 -64.12 1.02 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.639 HG23 ' H ' ' R' ' 58' ' ' VAL . 0.8 OUTLIER -50.81 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.594 -1.242 . . . . 0.0 112.444 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.639 ' H ' HG23 ' R' ' 57' ' ' ILE . 0.4 OUTLIER -40.48 -47.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.607 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' R' ' 61' ' ' LEU . 5.3 mm-40 -63.1 -64.4 0.92 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.593 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.4 tp10 -35.62 -32.49 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.319 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' R' ' 59' ' ' GLU . 83.4 mt . . . . . 0 C--N 1.304 -1.398 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.171 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.215 -0.645 0 N-CA-C 110.311 -0.688 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.98 -12.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.339 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.48 -10.47 46.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -93.04 -43.62 8.8 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.101 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -51.47 -17.52 0.82 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.562 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' R' ' 96' ' ' LEU . 10.7 mm100 -54.88 -59.62 4.48 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.613 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 35.4 t90 -86.99 -55.65 3.73 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.612 -1.235 . . . . 0.0 111.846 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' R' ' 100' ' ' LEU . 12.6 tp -40.66 -31.62 0.17 Allowed 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.54 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.33 -32.22 72.19 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -80.2 -24.62 40.14 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.867 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -34.85 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.498 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.57 -55.61 3.43 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.698 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.67 0.271 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.54 -41.46 97.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.33 -43.2 74.17 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.428 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 66.6 t-105 -53.99 -24.79 17.99 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.232 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.19 -23.33 18.6 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.041 -1.064 . . . . 0.0 111.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.67 -62.39 1.65 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.786 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -45.19 -52.5 9.32 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.432 HG23 ' N ' ' S' ' 24' ' ' ASP . 35.9 m -59.92 -39.28 79.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.958 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.432 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.1 OUTLIER -52.57 -28.22 20.04 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.86 -1.136 . . . . 0.0 110.781 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.56 -47.48 13.03 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.666 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mp -42.03 -62.5 0.91 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.717 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.54 -63.72 0.89 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.786 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . 0.65 HD22 ' N ' ' S' ' 28' ' ' ASN . 0.8 OUTLIER -45.54 -48.42 14.3 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.613 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -78.09 -33.38 50.76 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.627 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.863 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.3 OUTLIER -50.29 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.954 -179.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.653 ' C ' ' H ' ' S' ' 33' ' ' ASP . 22.6 tt0 -17.75 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.778 0 O-C-N 125.597 1.81 . . . . 0.0 110.825 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.823 ' O ' ' N ' ' S' ' 34' ' ' LEU . 17.1 m120 -71.34 32.87 0.05 OUTLIER 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.107 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.863 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.4 OUTLIER 18.76 26.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 124.57 1.169 . . . . 0.0 113.405 -178.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.823 ' N ' ' O ' ' S' ' 32' ' ' ASN . 6.6 mt -85.14 9.49 14.79 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.462 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -80.25 -19.65 46.35 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.44 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.4 mt -46.25 -52.1 30.12 Favored Pre-proline 0 N--CA 1.495 1.808 0 C-N-CA 118.459 -1.297 . . . . 0.0 113.999 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.2 Cg_exo -56.28 -66.02 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 120.442 0.761 . . . . 0.0 111.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.669 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -56.26 -38.83 71.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 24.9 tp -53.68 -38.99 64.74 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.121 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -20.66 62.18 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.85 -58.3 6.85 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.997 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . 0.424 ' O ' ' C ' ' S' ' 43' ' ' LEU . 7.1 mmt -87.56 43.24 1.09 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.78 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.5 OUTLIER -38.06 -54.52 1.33 Allowed 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.123 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.478 ' O ' ' O ' ' S' ' 43' ' ' LEU . 58.8 m 39.95 98.16 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -52.59 -39.23 75.96 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.374 0.716 . . . . 0.0 111.623 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' S' ' 46' ' ' ASP . 0.0 OUTLIER -58.04 -21.93 47.62 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.964 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' OE2' ' R' ' 47' ' ' GLU . 9.1 tp10 -93.11 -35.41 13.21 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -59.16 -56.45 22.0 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.72 -23.85 65.31 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.274 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.62 -22.93 23.23 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.34 -59.22 4.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.977 -1.089 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.1 82.14 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -12.9 4.86 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.042 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' R' ' 42' ' ' MET . 2.3 tpp180 -90.68 -63.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.671 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -17.68 3.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.668 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' S' ' 57' ' ' ILE . 29.6 ttt85 -64.48 -59.07 4.76 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.303 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.498 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.7 OUTLIER -41.07 -46.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.498 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 97.1 t -51.21 -64.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.522 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' S' ' 59' ' ' GLU . 10.6 tt0 -66.76 -12.95 60.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.868 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.874 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.08 -11.01 39.97 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.852 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -39.26 91.06 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.418 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -45.81 -70.19 0.11 Allowed 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.274 -0.97 . . . . 0.0 111.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.542 ' O ' ' N ' ' S' ' 101' ' ' GLU . 31.7 t90 -64.22 -59.94 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.94 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.584 HD11 HD12 ' S' ' 104' ' ' LEU . 13.1 tp -32.01 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.757 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.6 mt-10 -74.46 -41.72 60.32 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.9 mm-40 -70.84 -29.8 66.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.825 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.407 ' H ' HG12 ' S' ' 103' ' ' VAL . 0.9 OUTLIER -82.99 -41.55 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 118.448 -1.301 . . . . 0.0 112.001 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . 0.584 HD12 HD11 ' S' ' 100' ' ' LEU . 1.8 mt -96.1 -60.85 1.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 111.51 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . 0.482 HD22 ' N ' ' S' ' 105' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.489 1.509 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.439 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 46.2 m80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.709 0.29 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.77 -21.0 18.41 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' R' ' 18' ' ' GLU . 1.8 pm0 -112.33 -32.23 6.58 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.435 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 67.9 t-105 -48.19 -23.22 0.8 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.61 -64.33 1.3 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.725 -0.79 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -40.97 -44.78 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.552 ' CD2' HG12 ' S' ' 55' ' ' VAL . 39.6 t80 -91.32 -47.08 7.68 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.549 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.731 HG12 ' OH ' ' S' ' 30' ' ' TYR . 10.7 t -51.6 -15.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 118.148 -1.421 . . . . 0.0 109.686 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 0.4 OUTLIER -85.26 -23.37 28.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.245 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.86 -19.81 36.78 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.327 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . 0.722 ' O ' HD12 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -65.02 -40.3 94.67 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.512 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.11 57.67 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.737 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -63.42 -44.78 93.63 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.012 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -64.44 -55.9 17.77 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.405 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -43.19 -53.67 4.92 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 118.756 -1.177 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' R' ' 30' ' ' TYR . 5.1 tt0 -5.61 -61.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 126.963 2.665 . . . . 0.0 111.295 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -102.9 -92.3 0.34 Allowed 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 117.111 -1.836 . . . . 0.0 108.395 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.43 ' C ' HD22 ' R' ' 34' ' ' LEU . 48.4 m-20 -132.51 15.55 4.46 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.451 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.691 HD22 ' N ' ' R' ' 34' ' ' LEU . 3.2 mm? -86.98 9.09 20.6 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 116.578 -2.049 . . . . 0.0 116.077 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.2 p-80 -57.42 -50.86 71.66 Favored 'General case' 0 C--N 1.277 -2.56 0 C-N-CA 117.472 -1.691 . . . . 0.0 110.213 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.523 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 3.7 mt -37.68 -65.44 0.36 Allowed Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.9 Cg_endo -43.99 -85.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 120.917 1.078 . . . . 0.0 112.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.438 ' HG ' HD21 ' S' ' 96' ' ' LEU . 0.8 OUTLIER -44.89 -45.98 10.61 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.474 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 64.1 tp -53.19 -34.11 55.57 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.01 -45.04 82.99 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.727 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' R' ' 43' ' ' LEU . 4.3 mm? -45.0 -32.03 1.51 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.182 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 4.2 mtt -76.46 35.55 0.15 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.301 -0.959 . . . . 0.0 109.869 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' R' ' 41' ' ' LEU . 3.6 mt -80.8 5.95 14.46 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.539 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.09 160.35 0.35 Allowed Pre-proline 0 C--N 1.303 -1.415 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.834 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -53.69 -65.57 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.281 1.321 . . . . 0.0 111.751 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.28 -63.79 1.02 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.366 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -46.58 -47.02 19.88 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.66 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -51.29 -40.19 58.41 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.23 -2.0 47.03 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.54 -40.16 14.51 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.704 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 2.1 tt -51.54 -39.74 58.32 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.137 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 -38.92 95.59 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -65.69 -24.01 66.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -76.45 -31.36 57.78 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.371 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' S' ' 22' ' ' PHE . 9.6 t -77.95 -23.81 13.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.526 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' R' ' 57' ' ' ILE . 0.1 OUTLIER -59.06 -67.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.406 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -38.6 -75.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.861 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' R' ' 57' ' ' ILE . 84.5 t -35.84 -63.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' R' ' 60' ' ' GLU . 4.5 tp10 -52.95 -63.36 1.17 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' R' ' 59' ' ' GLU . 28.7 mt-10 -37.56 -46.13 0.81 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.381 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.306 -1.302 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.837 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 C--O 1.213 -0.742 0 N-CA-C 111.253 -0.326 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.65 -15.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.202 -0.999 . . . . 0.0 109.716 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.63 -11.04 46.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.403 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -94.73 -42.05 8.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -47.89 -20.87 0.35 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.581 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' R' ' 96' ' ' LEU . 3.7 mt-30 -51.38 -54.32 27.75 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.726 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 41.7 t90 -95.2 -52.89 4.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.195 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' R' ' 102' ' ' GLU . 1.9 tp -45.09 -50.67 10.92 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.232 -0.895 . . . . 0.0 113.067 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.56 0.19 0.08 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.253 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' R' ' 100' ' ' LEU . 20.1 mt-10 -110.29 -33.68 6.57 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.469 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 p -95.31 -25.76 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 119.32 -0.952 . . . . 0.0 112.921 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -24.17 27.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.488 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 N--CA 1.49 1.562 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.167 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.051 0.453 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -90.84 -65.18 1.04 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.412 ' HB2' HG21 ' R' ' 55' ' ' VAL . 2.2 pt-20 -63.75 -35.12 79.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.124 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.704 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 64.8 t-105 -52.48 -68.21 0.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -36.8 84.15 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.259 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -50.25 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.144 -1.023 . . . . 0.0 112.002 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.598 ' HB3' HG22 ' R' ' 55' ' ' VAL . 3.2 t80 -57.89 -49.51 76.48 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.825 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.51 HG23 ' O ' ' S' ' 19' ' ' TRP . 40.8 t -41.06 -43.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.18 -24.41 65.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.353 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.46 -33.95 31.71 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.23 -50.69 49.04 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.833 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' S' ' 27' ' ' LYS . 1.4 pttt -68.76 -26.59 65.3 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.041 -1.064 . . . . 0.0 112.269 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.1 -32.83 71.07 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -81.05 -27.17 35.83 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.11 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.95 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.2 OUTLIER -60.43 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.726 -1.19 . . . . 0.0 112.385 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.733 ' C ' ' H ' ' S' ' 33' ' ' ASP . 3.7 pt20 -19.76 -46.46 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.063 0 O-C-N 125.868 1.98 . . . . 0.0 111.943 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.846 ' O ' ' N ' ' S' ' 34' ' ' LEU . 16.4 m120 -78.78 26.91 0.23 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.95 ' N ' ' O ' ' S' ' 30' ' ' TYR 0.259 0.4 OUTLIER 12.56 23.93 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 112.713 -2.04 . . . . 0.0 115.564 -179.025 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.846 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.4 OUTLIER -102.88 3.72 36.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.445 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' S' ' 30' ' ' TYR . 44.5 p-80 -61.62 22.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.334 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.5 tp -68.44 -38.43 12.77 Favored Pre-proline 0 C--N 1.302 -1.484 0 C-N-CA 118.343 -1.343 . . . . 0.0 113.894 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 4.1 Cg_exo -63.83 -70.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.758 0.972 . . . . 0.0 110.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.5 OUTLIER -44.71 -48.0 10.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.696 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.21 -36.42 70.86 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.562 -1.255 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' S' ' 37' ' ' PRO . 20.9 t-20 -74.29 -39.62 62.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.018 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.28 -48.34 6.73 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 42.36 0.48 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.402 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.7 mt -65.3 -81.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 118.882 -1.127 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.512 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 51.23 114.15 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.449 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.41 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -52.88 -23.53 21.28 Favored 'Trans proline' 0 C--N 1.326 -0.607 0 CA-C-N 118.993 0.676 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.76 -51.53 22.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 3.5 mm-40 -69.97 -43.77 70.82 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.598 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' S' ' 50' ' ' ALA . 24.6 ttp180 -51.56 -63.43 1.14 Allowed 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.49 -13.08 0.54 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -95.0 -25.97 16.27 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.0 -63.12 1.37 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.52 -39.37 37.12 Favored Glycine 0 N--CA 1.486 1.984 0 C-N-CA 119.651 -1.261 . . . . 0.0 110.186 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -58.89 -42.18 88.91 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -60.4 -60.69 3.41 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.659 -0.817 . . . . 0.0 111.348 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.552 HG12 ' CD2' ' R' ' 22' ' ' PHE . 0.7 OUTLIER -46.6 -28.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.574 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' S' ' 60' ' ' GLU . 5.8 ttt180 -55.88 -63.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.581 -0.847 . . . . 0.0 111.785 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.531 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.9 OUTLIER -40.59 -49.1 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.065 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.531 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 61.3 t -55.17 -65.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.209 -0.996 . . . . 0.0 112.125 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 0.21 26.2 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.76 -0.776 . . . . 0.0 113.039 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' S' ' 56' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 118.609 -1.236 . . . . 0.0 111.393 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -24.46 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.655 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.67 HD22 HD13 ' S' ' 100' ' ' LEU . 0.4 OUTLIER -66.25 -61.41 2.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.397 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . 0.666 ' CD ' ' H ' ' S' ' 97' ' ' ARG . 0.0 OUTLIER -41.4 -33.73 0.45 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.71 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -51.76 -60.62 2.96 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.019 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.563 ' HB2' HD12 ' R' ' 34' ' ' LEU . 52.7 t90 -75.9 -53.39 8.5 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 118.238 -1.385 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.67 HD13 HD22 ' S' ' 96' ' ' LEU . 3.8 tp -31.41 -61.4 0.21 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.006 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -39.75 -38.49 0.65 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.8 mm-40 -79.77 -28.83 40.32 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.614 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . 0.547 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.6 OUTLIER -85.28 -38.15 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 118.415 -1.314 . . . . 0.0 112.37 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . 0.415 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 2.8 mt -106.47 -80.33 0.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.183 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.951 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -77.62 -62.63 1.6 Allowed 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.96 -38.24 67.52 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.43 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 74.1 t-105 -42.44 -32.59 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' R' ' 21' ' ' ARG . 33.3 mt -112.12 -67.57 0.99 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.053 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' R' ' 20' ' ' LEU . 1.8 ttt-85 -33.34 -44.34 0.13 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.924 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' R' ' 25' ' ' LEU . 0.5 OUTLIER -93.77 -57.52 2.53 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.997 -1.081 . . . . 0.0 112.333 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' R' ' 22' ' ' PHE . 42.4 t -40.82 -38.15 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.445 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' R' ' 25' ' ' LEU . 0.0 OUTLIER -62.09 -42.21 98.99 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.286 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' R' ' 22' ' ' PHE . 77.6 mt -53.67 -35.96 61.63 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.078 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . 0.445 HD23 ' OH ' ' S' ' 30' ' ' TYR . 5.8 tp -51.41 -30.57 19.66 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 117.893 -1.523 . . . . 0.0 108.187 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.93 60.47 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.872 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -49.01 78.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.244 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -62.04 -44.89 95.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.864 -1.135 . . . . 0.0 110.037 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.3 m-85 -47.92 -47.64 32.21 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 116.608 -2.037 . . . . 0.0 109.831 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' R' ' 30' ' ' TYR . 6.1 tt0 -4.0 -63.35 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.065 2.103 . . . . 0.0 110.647 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.3 OUTLIER -107.41 -94.56 0.38 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.411 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 81.9 m-20 -133.5 15.44 4.06 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -73.89 11.8 0.81 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 34.7 p-80 -88.87 -49.87 6.55 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.344 -1.343 . . . . 0.0 110.021 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.561 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.4 mt -42.65 -53.11 10.05 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 11.1 Cg_exo -50.91 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 120.429 0.753 . . . . 0.0 113.157 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.5 pp -62.98 -40.79 98.79 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.185 -1.406 . . . . 0.0 110.768 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 42.7 tp -43.72 -36.55 2.28 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.429 -1.308 . . . . 0.0 109.048 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' R' ' 41' ' ' LEU . 1.8 t-20 -73.73 -30.66 62.95 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.536 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' R' ' 38' ' ' LEU . 47.4 tp -37.84 -35.03 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 81.6 mmm -126.91 55.1 1.58 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.719 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.855 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.1 OUTLIER -82.99 4.5 25.67 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . 0.44 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.5 OUTLIER -39.3 161.11 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.328 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.12 -31.41 90.3 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 121.609 1.539 . . . . 0.0 111.914 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -59.24 -40.92 87.43 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.615 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' R' ' 46' ' ' ASP . 0.7 OUTLIER -88.4 -53.15 4.82 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.22 -0.992 . . . . 0.0 111.507 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -54.26 -23.85 16.51 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.654 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' R' ' 49' ' ' GLU . 7.0 tm-20 -85.58 -18.37 33.56 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.658 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.32 -25.52 16.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.073 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.29 -63.56 1.24 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.924 -1.111 . . . . 0.0 110.776 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.01 27.84 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.709 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -60.8 -42.25 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -68.38 -25.86 65.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.491 -0.883 . . . . 0.0 111.038 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.45 HG13 ' CD2' ' S' ' 22' ' ' PHE . 83.9 t -75.86 -29.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.106 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.31 28.11 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.443 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.536 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 1.6 pt -49.95 -53.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 C-N-CA 119.637 -0.825 . . . . 0.0 112.935 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.569 HG13 ' H ' ' R' ' 59' ' ' GLU . 1.6 p -54.72 -55.9 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.152 -1.419 . . . . 0.0 111.298 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . 0.569 ' H ' HG13 ' R' ' 58' ' ' VAL . 8.3 tt0 -49.98 -49.44 50.48 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.16 -49.95 52.13 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.292 -0.963 . . . . 0.0 111.67 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.489 1.506 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.015 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 C--O 1.215 -0.672 0 CA-C-O 120.586 0.161 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . 0.474 ' H ' HG13 ' R' ' 94' ' ' VAL . 0.9 OUTLIER -61.2 -7.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.217 -0.993 . . . . 0.0 110.291 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -88.0 -11.04 48.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.492 ' C ' ' N ' ' R' ' 98' ' ' GLN . 16.5 tp -95.62 -35.31 11.66 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' R' ' 96' ' ' LEU . 57.6 mtp180 -46.95 -22.98 0.38 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.266 -0.974 . . . . 0.0 108.376 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . 0.492 ' N ' ' C ' ' R' ' 96' ' ' LEU . 44.4 mm-40 -49.83 -65.67 0.52 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.41 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' R' ' 101' ' ' GLU . 36.0 t90 -82.57 -54.81 4.88 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.127 -1.429 . . . . 0.0 112.086 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' R' ' 99' ' ' TRP . 2.0 tp -39.06 -23.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' R' ' 99' ' ' TRP . 4.2 mt-10 -67.93 -57.25 6.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.791 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' R' ' 99' ' ' TRP . 0.0 OUTLIER -51.03 -20.72 1.49 Allowed 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.656 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' R' ' 101' ' ' GLU . 5.4 t -84.4 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.306 -0.958 . . . . 0.0 113.111 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' R' ' 105' ' ' LEU . 12.4 mt -93.03 -17.12 24.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.155 -1.018 . . . . 0.0 113.687 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' R' ' 101' ' ' GLU . 44.1 tp . . . . . 0 N--CA 1.496 1.854 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.831 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.657 0.265 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.06 -50.14 5.22 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -72.93 -35.4 67.0 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.415 ' O ' HG21 ' S' ' 23' ' ' VAL . 67.1 t-105 -49.41 -16.09 0.18 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.583 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' S' ' 24' ' ' ASP . 13.3 mt -112.06 -61.61 1.69 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.096 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -49.0 28.09 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.45 ' CD2' HG13 ' R' ' 55' ' ' VAL . 75.1 m-85 -87.73 -41.45 13.32 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 118.522 -1.271 . . . . 0.0 112.795 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.415 HG21 ' O ' ' S' ' 19' ' ' TRP . 41.2 t -51.95 -25.09 5.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 1.1 m-20 -67.77 -31.5 71.43 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.566 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.77 -29.27 62.1 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.441 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.72 -39.07 90.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.012 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -24.84 66.18 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.214 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -74.96 -43.19 55.45 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' S' ' 33' ' ' ASP . . . -49.38 -75.16 0.03 OUTLIER 'General case' 0 C--O 1.195 -1.775 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.689 ' C ' ' O ' ' S' ' 29' ' ' ALA . 16.7 m-85 -11.66 -74.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.457 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' S' ' 29' ' ' ALA . 4.2 mm-40 -67.48 -38.17 83.97 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' S' ' 29' ' ' ALA . 2.9 m-80 -101.92 -14.47 17.2 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.937 ' O ' ' N ' ' S' ' 35' ' ' HIS . 37.7 t0 -111.66 14.93 21.22 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 1.056 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 15.99 29.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.906 0.86 . . . . 0.0 112.292 -179.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.937 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER 5.75 1.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 C-N-CA 131.218 3.807 . . . . 0.0 118.464 -175.175 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.688 ' N ' ' O ' ' S' ' 34' ' ' LEU . 0.5 OUTLIER -51.34 -50.0 78.74 Favored Pre-proline 0 C--N 1.283 -2.322 0 C-N-CA 118.007 -1.477 . . . . 0.0 111.398 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 5.9 Cg_exo -63.29 -73.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 110.324 -0.683 . . . . 0.0 110.324 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' S' ' 39' ' ' LEU . 0.4 OUTLIER -50.28 -56.71 10.05 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.375 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 38.3 tp -43.05 -43.99 4.58 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 117.746 -1.582 . . . . 0.0 111.256 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.27 -22.57 61.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.478 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -50.58 63.23 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 118.782 -1.167 . . . . 0.0 111.22 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 4.3 mmm -110.35 35.83 3.29 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.136 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.4 OUTLIER -46.17 -31.77 2.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.212 -0.995 . . . . 0.0 111.114 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.587 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 31.25 114.42 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.36 -27.5 31.46 Favored 'Trans proline' 0 C--O 1.216 -0.589 0 CA-C-N 118.903 0.644 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -39.9 95.61 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.044 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.62 -43.16 49.42 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.254 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -49.63 -36.87 25.9 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.294 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -29.05 69.26 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.696 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -13.47 30.81 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.622 ' C ' HD13 ' S' ' 51' ' ' LEU . 2.3 tm? -61.67 -72.89 0.11 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.4 -38.37 62.35 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m -67.66 -32.83 73.78 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.431 -0.907 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -64.71 -35.82 82.28 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.482 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.8 OUTLIER -81.12 -22.91 10.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.584 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.55 -37.05 84.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -61.35 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 C-N-CA 118.206 -1.398 . . . . 0.0 111.332 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -46.9 -43.22 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 118.55 -1.26 . . . . 0.0 110.571 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.25 -63.77 1.18 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.347 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.489 1.485 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.523 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.705 0.288 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -71.09 5.9 1.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.48 ' O ' HD23 ' S' ' 96' ' ' LEU . 1.1 tt -99.08 -56.14 2.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -22.28 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.629 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' S' ' 96' ' ' LEU . 54.7 mt-30 -53.93 -60.38 3.4 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.519 -0.873 . . . . 0.0 110.143 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.515 ' CD1' HD23 ' R' ' 34' ' ' LEU . 35.4 t90 -76.07 -55.56 5.48 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.4 tp -34.28 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.045 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.8 mt-10 -66.97 -37.37 84.12 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' S' ' 99' ' ' TRP . 36.8 mm-40 -74.67 -29.55 61.28 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.4 -35.96 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.362 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.59 -55.86 2.78 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.159 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.486 1.368 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.071 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 121.149 0.499 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.02 -62.05 2.13 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.7 -20.93 61.14 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.785 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 19' ' ' TRP . . . . . 0.415 ' CZ3' HD13 ' S' ' 51' ' ' LEU . 30.5 t-105 -46.92 -41.94 16.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.593 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.99 -30.34 7.29 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 21' ' ' ARG . . . . . 0.417 ' O ' ' OD2' ' R' ' 24' ' ' ASP . 15.1 ttp-105 -62.89 -25.8 68.48 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.683 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 22' ' ' PHE . . . . . 0.582 ' CD2' HG23 ' S' ' 55' ' ' VAL . 35.6 t80 -103.68 -44.97 4.94 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.013 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.93 -30.9 16.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.613 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 24' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' R' ' 21' ' ' ARG . 2.5 p30 -63.88 -27.86 69.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.002 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.3 -33.94 59.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.203 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 26' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' R' ' 26' ' ' LEU . 55.9 tp -55.02 -48.32 73.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.155 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -25.38 61.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -51.24 44.87 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 29' ' ' ALA . . . . . 0.734 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -57.56 -24.0 53.73 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.533 -1.267 . . . . 0.0 109.937 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 30' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.1 m-85 -68.76 -48.33 63.99 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 116.305 -2.158 . . . . 0.0 108.287 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 31' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.4 tt0 -4.21 -64.52 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 126.342 2.276 . . . . 0.0 110.718 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 32' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' R' ' 30' ' ' TYR . 4.4 t-20 -104.76 -94.79 0.34 Allowed 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 33' ' ' ASP . . . . . 0.46 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 8.8 t70 -133.4 14.61 4.12 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.734 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -70.24 10.18 0.48 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.241 -1.784 . . . . 0.0 115.585 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 35' ' ' HIS . . . . . 0.447 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.0 p-80 -86.35 -49.16 7.86 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 117.481 -1.688 . . . . 0.0 108.141 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.0 OUTLIER -36.26 -56.43 1.24 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.21 -76.5 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.703 0 C-N-CA 120.484 0.789 . . . . 0.0 113.578 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 38' ' ' LEU . . . . . 0.723 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -60.08 -42.67 95.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.433 -1.307 . . . . 0.0 110.619 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' R' R ' 39' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 42.5 tp -47.34 -36.37 9.37 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.365 -1.334 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 40' ' ' ASN . . . . . 0.412 ' ND2' HD11 ' R' ' 43' ' ' LEU . 0.8 OUTLIER -73.0 -32.01 64.86 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.073 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.47 -43.07 7.56 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.035 -1.066 . . . . 0.0 111.009 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.07 43.13 1.03 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.676 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 43' ' ' LEU . . . . . 0.412 HD11 ' ND2' ' R' ' 40' ' ' ASN . 3.2 mt -78.87 10.45 3.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.03 160.13 0.23 Allowed Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 119.419 -0.913 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -51.72 3.67 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.3 1.333 . . . . 0.0 111.677 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.3 -44.82 88.72 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.847 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.23 -44.29 59.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -48.71 -51.84 26.63 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.51 -39.31 77.65 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.35 -38.94 13.87 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.363 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 51' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 0.2 OUTLIER -49.66 -70.98 0.07 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.948 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.23 -28.72 0.88 Allowed Glycine 0 N--CA 1.483 1.773 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -53.86 25.77 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.48 -12.11 29.12 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 55' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' S' ' 22' ' ' PHE . 47.6 t -87.25 -28.62 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -63.88 -51.87 62.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.642 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 57' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -47.03 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.108 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' R' R ' 58' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' R' ' 57' ' ' ILE . 14.2 t -32.16 -58.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 124.019 0.824 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -46.58 -59.63 2.88 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.57 -22.73 59.97 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.927 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.3 -1.556 0 C-N-CA 118.963 -1.095 . . . . 0.0 111.075 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' R' R ' 93' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' R' ' 95' ' ' GLU . 9.7 Cg_endo . . . . . 0 C--O 1.214 -0.702 0 N-CA-C 111.087 -0.389 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.84 -13.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.978 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 95' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' R' ' 93' ' ' PRO . 21.8 mm-40 -75.77 -0.4 20.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 96' ' ' LEU . . . . . 0.68 HD13 ' C ' ' R' ' 96' ' ' LEU . 3.0 tm? -81.33 -44.37 17.73 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -65.91 -30.21 70.76 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.929 -0.709 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -46.08 -71.44 0.07 Allowed 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 99' ' ' TRP . . . . . 0.662 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 39.5 t90 -67.26 -48.83 66.56 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.213 -1.395 . . . . 0.0 112.052 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -40.17 27.03 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.468 -0.893 . . . . 0.0 113.167 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.23 -16.01 29.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -98.39 -25.59 14.76 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' R' R ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 1.8 p -95.56 -41.01 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 C-N-CA 118.772 -1.171 . . . . 0.0 114.037 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 104' ' ' LEU . . . . . 0.469 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 3.8 mt -90.83 -58.51 2.45 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.901 -1.12 . . . . 0.0 112.406 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--N 1.303 -1.443 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.492 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t60 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -95.04 -46.18 6.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.597 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 18' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mt-10 -72.07 -37.94 69.53 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.522 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 19' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 57.7 t-105 -44.69 -11.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' S' ' 18' ' ' GLU . 11.8 mt -111.2 -63.41 1.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.737 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -44.92 -46.12 10.77 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.454 -0.794 . . . . 0.0 113.127 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 22' ' ' PHE . . . . . 0.473 ' CD1' HG13 ' R' ' 55' ' ' VAL . 22.4 m-85 -81.58 -50.04 9.83 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.911 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 23' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' S' ' 22' ' ' PHE . 96.4 t -46.37 -21.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 C-N-CA 118.362 -1.335 . . . . 0.0 109.596 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 24' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.4 OUTLIER -71.53 -43.87 65.66 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.815 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -64.22 -22.86 67.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.489 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 26' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' S' ' 26' ' ' LEU . 0.2 OUTLIER -65.19 -54.76 24.62 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.36 -1.336 . . . . 0.0 108.93 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -10.9 16.26 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.339 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 28' ' ' ASN . . . . . 0.43 ' HA ' HE21 ' S' ' 31' ' ' GLN . 1.5 m120 -79.58 -45.03 19.95 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 29' ' ' ALA . . . . . 0.662 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -68.3 -30.79 69.87 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.067 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 30' ' ' TYR . . . . . 0.88 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.9 m-85 -56.15 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.709 -1.196 . . . . 0.0 111.066 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 31' ' ' GLN . . . . . 0.554 ' C ' ' H ' ' S' ' 33' ' ' ASP . 10.4 pt20 -20.89 -50.59 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 125.009 1.443 . . . . 0.0 111.973 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . 0.81 ' O ' ' N ' ' S' ' 34' ' ' LEU . 12.6 m120 -81.22 32.87 0.34 Allowed 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 33' ' ' ASP . . . . . 0.88 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.3 m-20 19.89 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 124.694 1.246 . . . . 0.0 112.676 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' S' ' 32' ' ' ASN . 2.4 mt -91.01 12.71 18.87 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.22 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 35' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' S' ' 39' ' ' LEU . 26.0 p-80 -76.04 -23.67 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.0 OUTLIER -58.06 -48.4 97.14 Favored Pre-proline 0 N--CA 1.5 2.037 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -179.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.5 Cg_exo -56.57 -61.81 0.29 Allowed 'Trans proline' 0 C--N 1.32 -0.964 0 CA-C-N 119.41 0.825 . . . . 0.0 112.466 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' S' ' 39' ' ' LEU . 0.5 OUTLIER -67.19 -37.54 83.85 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.793 -1.563 . . . . 0.0 110.31 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 21.0 tp -52.6 -37.07 57.43 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.303 -1.759 . . . . 0.0 108.383 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -32.35 72.37 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.26 -32.98 0.87 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.074 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 71.1 mmm -127.84 58.02 1.52 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.654 -0.819 . . . . 0.0 112.101 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 43' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.6 pp -89.02 3.41 51.76 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 44' ' ' THR . . . . . 0.457 ' O ' ' O ' ' S' ' 43' ' ' LEU . 1.2 p -31.31 153.2 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.548 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.39 -46.56 30.76 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.42 1.414 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -18.1 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.718 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -108.87 -28.63 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.75 -58.89 3.35 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.211 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.43 -12.27 5.81 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.734 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.54 -30.3 14.46 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 4.7 tt -69.54 -62.62 1.31 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.39 -33.94 17.82 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.878 -1.629 . . . . 0.0 109.264 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 95.3 m -70.63 -32.85 70.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -61.59 -56.74 16.65 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 55' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' R' ' 22' ' ' PHE . 2.3 p -57.01 -35.1 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -51.45 -55.46 18.67 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.221 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -55.08 -54.92 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.875 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 67.8 t -44.96 -63.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.166 -1.014 . . . . 0.0 111.602 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.82 -11.99 15.23 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.781 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.49 1.532 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.967 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -88.89 -31.64 18.14 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.558 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 96' ' ' LEU . . . . . 0.463 HD11 HD23 ' S' ' 100' ' ' LEU . 24.2 tp -78.48 -42.33 30.0 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -52.86 -25.8 12.7 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -63.67 1.05 Allowed 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.434 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 99' ' ' TRP . . . . . 0.527 ' HB2' HD23 ' R' ' 34' ' ' LEU . 32.5 t90 -81.58 -59.19 2.7 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.013 -1.075 . . . . 0.0 111.745 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 100' ' ' LEU . . . . . 0.552 HD21 HG13 ' S' ' 58' ' ' VAL . 0.2 OUTLIER -26.88 -53.16 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.762 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.45 -51.25 8.87 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 102' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' S' ' 99' ' ' TRP . 21.2 mt-10 -59.95 -30.96 69.43 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.531 -0.867 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 14.3 t -68.63 -68.87 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.814 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.64 -77.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.914 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 121.042 0.449 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t 53.69 73.25 0.95 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.651 -0.82 . . . . 0.0 112.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -72.84 -12.9 26.6 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.738 1.626 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -161.54 -2.06 0.05 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.4 113.77 14.35 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.356 -0.938 . . . . 0.0 111.314 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.19 148.15 37.74 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.27 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 161.51 21.02 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -46.63 7.47 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.188 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.33 10.65 0.51 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.008 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' R' ' 14' ' ' GLN . 68.4 mt-10 54.71 -160.38 0.16 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' R' ' 14' ' ' GLN . 0.9 OUTLIER 50.15 177.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.518 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -153.14 -14.28 0.15 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -42.33 -28.75 0.22 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.26 -54.01 9.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.0 OUTLIER -49.13 -74.41 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.945 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' R' ' 18' ' ' GLU . 16.0 t-105 -32.77 -31.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 18' ' ' GLU . 12.4 mt -90.77 -39.22 12.52 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.588 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' R' ' 18' ' ' GLU . 0.1 OUTLIER -69.54 -23.27 63.56 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.301 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' R' ' 22' ' ' PHE . 0.8 OUTLIER -81.19 -64.82 1.11 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' R' ' 22' ' ' PHE . 35.6 m -49.0 -30.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 C-N-CA 118.521 -1.272 . . . . 0.0 109.115 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -38.42 67.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 118.963 -1.095 . . . . 0.0 108.939 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.77 -34.87 77.65 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.125 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.69 -44.43 66.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.675 -1.21 . . . . 0.0 109.571 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -57.16 -53.89 53.02 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.397 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . 0.591 ' H ' HD22 ' R' ' 28' ' ' ASN . 4.3 m-80 -42.98 -53.08 4.94 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.19 -54.0 48.88 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.498 -1.281 . . . . 0.0 110.057 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.8 m-85 -47.37 -70.14 0.1 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.1 tt0 11.7 -70.09 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.678 2.486 . . . . 0.0 110.341 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.3 t-20 -94.74 -95.97 0.17 Allowed 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -151.58 22.41 0.71 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' S' ' 99' ' ' TRP . 7.1 mt -80.7 15.84 1.6 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 114.455 -1.248 . . . . 0.0 114.096 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 17.4 p-80 -96.26 -17.52 20.69 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.348 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 0.3 OUTLIER -47.49 -48.91 56.96 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.584 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -61.59 -69.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.954 0 CA-C-N 118.58 0.529 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -29.6 36.37 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.262 -1.375 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.65 -34.17 72.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 117.69 -1.604 . . . . 0.0 108.323 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.828 HD22 HD22 ' R' ' 41' ' ' LEU . 0.0 OUTLIER -68.63 -30.28 68.96 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.823 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.828 HD22 HD22 ' R' ' 40' ' ' ASN . 3.6 mm? -67.13 -4.6 10.57 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.434 -1.306 . . . . 0.0 107.845 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.447 ' H ' ' C ' ' R' ' 40' ' ' ASN . 0.2 OUTLIER -105.26 16.52 25.55 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.365 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.86 12.31 7.65 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.679 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -45.69 151.89 0.77 Allowed Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.72 -56.37 1.77 Allowed 'Trans proline' 0 C--N 1.322 -0.868 0 C-N-CA 120.84 1.027 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 2.4 p30 -51.31 -44.57 61.97 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 2.3 tp10 -76.07 -34.52 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.305 -0.958 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -54.69 -31.14 57.49 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -22.77 20.98 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -11.91 56.3 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.599 HD13 ' C ' ' R' ' 51' ' ' LEU . 2.7 tm? -69.39 -72.42 0.19 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.88 -30.49 5.01 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 119.074 -1.536 . . . . 0.0 109.919 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -71.72 -45.92 60.27 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -48.15 -38.98 19.28 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -21.96 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 118.73 -1.188 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 19.6 ttm105 -65.04 -46.43 81.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.676 -0.809 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -59.38 -76.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.312 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.661 HG23 ' N ' ' R' ' 59' ' ' GLU . 31.0 m -32.7 -50.39 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.786 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . 0.661 ' N ' HG23 ' R' ' 58' ' ' VAL . 14.8 tt0 -59.4 -53.84 53.56 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.849 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.44 -17.81 64.83 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 119.771 -0.772 . . . . 0.0 112.458 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' R' ' 61' ' ' LEU . 17.1 mt -73.22 -56.03 5.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.722 -1.191 . . . . 0.0 111.421 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' R' ' 64' ' ' GLY . 1.4 tp -84.46 20.67 1.63 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.387 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . 0.532 ' C ' ' H ' ' R' ' 65' ' ' GLU . 20.6 ptt180 -43.96 -11.61 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' R' ' 62' ' ' LEU . . . -49.31 -6.43 0.06 OUTLIER Glycine 0 N--CA 1.495 2.595 0 C-N-CA 119.57 -1.3 . . . . 0.0 111.542 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' R' ' 63' ' ' ARG . 0.7 OUTLIER -81.62 35.8 0.42 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.607 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.27 47.01 5.67 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 18.1 t -59.85 116.17 3.91 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -93.82 -59.85 1.89 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.066 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 26.73 10.27 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.984 -0.687 . . . . 0.0 112.22 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.86 8.31 10.51 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.439 -0.904 . . . . 0.0 111.506 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.4 -48.86 79.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' R' ' 72' ' ' LYS . 0.0 OUTLIER -157.12 138.42 13.76 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.535 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -6.37 12.14 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.221 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -141.29 73.46 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.409 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . 0.425 HD23 ' O ' ' R' ' 75' ' ' LEU . 0.8 OUTLIER -69.74 -42.72 73.56 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.722 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' R' ' 77' ' ' ALA . . . -46.35 -32.81 5.44 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.253 -1.451 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' R' ' 76' ' ' GLY . . . 178.09 114.79 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.727 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -14.04 1.24 Allowed Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.599 -1.286 . . . . 0.0 110.025 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 tp -71.25 -3.5 3.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.87 17.05 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.214 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 7.3 m -61.16 -4.63 1.18 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.478 ' C ' ' H ' ' R' ' 84' ' ' ARG . 56.7 mt -106.87 -67.6 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.18 6.5 0.74 Allowed 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' R' ' 82' ' ' ILE . 13.5 ttm180 -41.43 -74.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.368 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.72 -149.69 21.34 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 2.8 t -88.35 108.06 19.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.174 -1.01 . . . . 0.0 110.682 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -14.78 40.16 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -90.91 128.55 36.81 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.65 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.737 ' H ' HD23 ' R' ' 89' ' ' LEU . 0.0 OUTLIER -54.77 -33.51 61.44 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.744 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -63.99 -23.97 67.54 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 45.75 59.1 3.85 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.661 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.91 68.39 7.44 Favored Pre-proline 0 N--CA 1.487 1.398 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.383 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' R' ' 95' ' ' GLU . 6.3 Cg_endo -73.12 -0.14 8.69 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.941 1.761 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.431 HG12 ' O ' ' R' ' 94' ' ' VAL . 66.1 t -54.75 -13.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' R' ' 93' ' ' PRO . 18.4 mt-10 -75.49 -17.1 60.21 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.523 HD11 HD13 ' R' ' 100' ' ' LEU . 28.0 tp -86.83 -44.7 11.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -47.28 -19.01 0.12 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.31 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' R' ' 96' ' ' LEU . 5.4 mt-30 -62.94 -60.3 3.65 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.894 -0.722 . . . . 0.0 111.404 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.661 ' CH2' HG21 ' R' ' 103' ' ' VAL . 34.1 t90 -81.46 -53.07 6.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.467 -1.293 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.523 HD13 HD11 ' R' ' 96' ' ' LEU . 2.4 tp -42.64 -53.68 4.34 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.567 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.76 -19.76 2.69 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.25 -13.46 20.79 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.467 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.661 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.0 OUTLIER -102.22 -29.59 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.294 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -33.54 22.03 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.151 -1.02 . . . . 0.0 110.638 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' R' ' 106' ' ' LYS . 1.3 mp -105.95 -51.7 2.94 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.38 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' R' ' 105' ' ' LEU . 11.0 tttp 59.79 118.46 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.444 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' S' ' 5' ' ' SER . 10.0 tt0 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . 0.461 ' O ' ' O ' ' S' ' 4' ' ' GLN . 0.3 OUTLIER 54.34 167.15 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.99 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -58.81 -50.62 8.7 Favored 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 120.802 1.001 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.47 18.91 0.73 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 62.41 137.96 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.71 -171.4 2.2 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.8 151.55 23.72 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 27.8 mtm -115.27 172.81 6.85 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.792 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.95 142.95 42.37 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.593 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -151.85 157.41 41.86 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -146.58 -154.53 0.55 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.493 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . 0.545 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 2.8 ptp180 -43.39 115.23 0.74 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.909 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' S' ' 15' ' ' ARG . 1.6 m-70 -179.39 73.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.71 -34.83 11.79 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.609 -0.837 . . . . 0.0 112.541 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mm-40 -91.37 -45.01 8.81 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.202 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -42.75 -13.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' S' ' 18' ' ' GLU . 81.6 mt -115.52 -81.22 0.61 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.861 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -39.27 -39.61 0.65 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.807 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' S' ' 25' ' ' LEU . 0.7 OUTLIER -85.25 -54.51 4.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.764 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' S' ' 22' ' ' PHE . 42.4 t -46.86 -23.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 118.541 -1.264 . . . . 0.0 109.686 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.6 OUTLIER -69.82 -41.05 75.52 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 119.386 -0.925 . . . . 0.0 108.834 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' S' ' 22' ' ' PHE . 73.8 mt -59.33 -28.23 66.63 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.363 -0.935 . . . . 0.0 108.989 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.85 -40.95 81.36 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.691 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -68.84 -24.18 64.33 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.463 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.99 -50.11 57.61 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.861 -1.135 . . . . 0.0 110.138 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -58.71 -44.33 90.35 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.94 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.764 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.2 m-85 -48.56 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.207 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.1 OUTLIER -13.72 -66.3 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 125.049 1.468 . . . . 0.0 112.798 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.607 ' O ' ' N ' ' S' ' 34' ' ' LEU . 45.3 m-80 -77.32 35.24 0.17 Allowed 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.706 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.764 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.6 OUTLIER 31.78 28.36 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.448 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.4 mt -91.82 14.46 15.39 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.398 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' S' ' 36' ' ' LEU . 26.7 p-80 -77.73 -21.4 51.94 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.3 mm? -35.59 -60.67 0.6 Allowed Pre-proline 0 N--CA 1.496 1.862 0 C-N-CA 119.441 -0.903 . . . . 0.0 111.497 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' S' ' 38' ' ' LEU . 1.6 Cg_endo -59.17 -72.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.339 0.693 . . . . 0.0 110.301 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' S' ' 41' ' ' LEU . 0.5 OUTLIER -38.86 -62.46 0.62 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.002 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.431 HD13 ' C ' ' S' ' 39' ' ' LEU . 0.3 OUTLIER -43.36 -70.19 0.11 Allowed 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.238 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -50.17 -18.12 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' S' ' 38' ' ' LEU . 18.8 tp -55.34 -69.57 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.07 47.17 1.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.616 -0.833 . . . . 0.0 112.762 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 44' ' ' THR . 1.6 mt -61.13 -71.76 0.13 Allowed 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.537 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 73.07 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.792 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' S' ' 46' ' ' ASP . 3.1 Cg_exo -53.17 -61.0 0.52 Allowed 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 120.848 1.032 . . . . 0.0 112.051 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' S' ' 45' ' ' PRO . 39.8 t0 -38.16 -47.73 1.18 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.256 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.3 tp10 -67.66 -39.97 84.53 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' S' ' 45' ' ' PRO . 72.1 ttt180 -50.32 -47.83 55.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.518 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.68 13.26 1.04 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -109.09 -42.95 4.29 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.865 -0.734 . . . . 0.0 111.967 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.846 HD12 ' N ' ' S' ' 52' ' ' GLY . 3.1 pp -47.53 -54.12 12.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.044 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . 0.846 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -59.01 -47.58 90.07 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 118.955 -1.593 . . . . 0.0 109.927 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -64.19 -8.01 11.04 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.708 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' S' ' 56' ' ' ARG . 2.0 tpp180 -90.68 -65.68 0.99 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.218 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.409 HG12 ' O ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -47.66 -23.3 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.305 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.03 -62.58 1.68 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.714 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.553 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.8 OUTLIER -42.69 -53.16 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.773 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 12.2 t -55.98 -68.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.46 -10.13 0.23 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.672 -0.811 . . . . 0.0 111.74 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' S' ' 64' ' ' GLY . 30.7 mt-10 -96.13 -57.66 2.28 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 60' ' ' GLU . 26.8 mt -41.27 -36.23 0.75 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -59.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.237 -0.985 . . . . 0.0 111.517 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -89.24 23.38 2.5 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.892 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' S' ' 60' ' ' GLU . . . -107.94 -21.1 7.96 Favored Glycine 0 N--CA 1.499 2.854 0 C-N-CA 119.604 -1.284 . . . . 0.0 111.215 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 14.66 0.8 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 13.6 mmt -127.7 6.71 6.18 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.723 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.93 138.93 38.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.509 -0.877 . . . . 0.0 111.223 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -90.84 -25.15 20.03 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.709 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -74.51 -2.54 26.18 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 55.82 85.69 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.603 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -17.3 14.46 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -142.11 8.76 1.87 Allowed 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -104.28 -41.47 5.77 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -152.63 79.73 1.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 tp -122.2 -21.0 6.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.905 -0.718 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.78 -36.64 3.7 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.213 -1.47 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.63 6.27 3.74 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' S' ' 80' ' ' ALA . . . -71.98 -51.38 14.76 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.421 -1.371 . . . . 0.0 110.586 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.727 ' O ' HG22 ' S' ' 79' ' ' ILE . 82.7 mt -73.73 28.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' S' ' 78' ' ' GLY . . . -58.88 -102.55 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.651 -0.819 . . . . 0.0 112.092 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' S' ' 81' ' ' THR . 0.9 OUTLIER -106.95 12.15 29.08 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.416 ' H ' HG23 ' S' ' 82' ' ' ILE . 1.4 pt -63.87 -34.27 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 118.02 -1.472 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' S' ' 82' ' ' ILE . 25.3 m -105.04 -51.51 3.02 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.754 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -54.39 -68.71 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.04 -93.29 1.6 Allowed Glycine 0 N--CA 1.49 2.261 0 C-N-CA 119.397 -1.382 . . . . 0.0 110.353 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -139.82 -56.78 0.56 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.35 113.14 6.37 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.244 -0.983 . . . . 0.0 111.72 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 38.4 t -160.92 106.77 1.42 Allowed 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.441 HD23 ' N ' ' S' ' 89' ' ' LEU . 0.1 OUTLIER -94.71 -98.65 0.16 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.59 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.54 28.76 5.61 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.016 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.19 -4.01 3.48 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.501 -0.88 . . . . 0.0 111.656 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' S' ' 93' ' ' PRO . . . -89.24 -44.68 0.43 Allowed Pre-proline 0 C--N 1.305 -1.355 0 C-N-CA 119.06 -1.056 . . . . 0.0 112.387 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 3.1 Cg_endo -72.97 -42.5 1.01 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.888 1.058 . . . . 0.0 111.147 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . 0.407 HG23 ' H ' ' S' ' 94' ' ' VAL . 2.5 t -54.98 -12.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.18 -1.008 . . . . 0.0 109.978 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' S' ' 93' ' ' PRO . 89.6 mt-10 -99.0 -19.88 17.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.791 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.541 HD11 HD13 ' S' ' 100' ' ' LEU . 28.8 tp -80.88 -52.26 7.67 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -43.69 -29.32 0.5 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.48 -62.5 1.61 Allowed 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.804 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.513 ' CZ3' HG11 ' S' ' 103' ' ' VAL . 36.1 t90 -77.23 -55.95 4.98 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.735 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.541 HD13 HD11 ' S' ' 96' ' ' LEU . 2.7 tp -33.94 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.265 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' S' ' 99' ' ' TRP . 0.0 OUTLIER -63.38 -43.03 98.8 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.349 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.3 mt-10 -68.47 -33.33 73.97 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.513 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.7 p -85.84 -41.36 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 C-N-CA 118.107 -1.437 . . . . 0.0 113.917 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.38 -34.51 17.56 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 118.487 -1.285 . . . . 0.0 111.914 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.44 -43.99 9.92 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.71 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt 53.08 72.52 0.42 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 116.298 -1.81 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t 60.16 68.6 1.38 Allowed Pre-proline 0 N--CA 1.491 1.601 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.644 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -71.96 -10.16 25.74 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.627 1.551 . . . . 0.0 111.43 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -92.74 28.76 1.95 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.308 -0.957 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 11.4 p -173.64 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.214 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.49 139.4 38.13 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.53 113.56 21.87 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.495 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . 0.438 ' O ' ' O ' ' R' ' 12' ' ' ALA . 19.0 mmm -60.69 117.05 4.88 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.604 -0.839 . . . . 0.0 111.75 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' R' ' 11' ' ' MET . . . 53.03 108.24 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.354 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -66.93 -3.55 7.3 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -112.25 31.14 6.49 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.73 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -95.67 30.57 2.28 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.211 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m80 40.16 35.89 0.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.936 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -88.82 -19.55 25.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.423 ' OE2' HG11 ' S' ' 55' ' ' VAL . 16.4 tt0 -103.88 -42.39 5.6 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.494 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 24.2 t-105 -49.25 -13.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -114.42 -66.05 1.13 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.317 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -36.66 -45.16 0.5 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.41 ' C ' ' N ' ' R' ' 24' ' ' ASP . 55.0 m-85 -81.76 -45.69 15.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.511 -1.276 . . . . 0.0 111.049 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 15.8 t -55.32 -15.96 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.257 -1.377 . . . . 0.0 109.018 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' R' ' 22' ' ' PHE . 79.6 m-20 -80.03 -25.2 40.28 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.822 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -81.25 -21.05 39.72 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -57.93 -48.02 81.14 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.48 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -63.09 -37.71 88.29 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.453 -1.299 . . . . 0.0 110.187 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.76 -52.98 16.68 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.346 -1.341 . . . . 0.0 110.03 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -60.23 -42.43 95.21 Favored 'General case' 0 C--N 1.305 -1.37 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.663 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.5 m-85 -51.63 -68.62 0.15 Allowed 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 116.986 -1.886 . . . . 0.0 109.518 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.1 OUTLIER 11.02 -69.34 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 126.864 2.602 . . . . 0.0 110.633 -179.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.7 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -96.07 -91.54 0.23 Allowed 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 25.5 t0 -151.51 23.37 0.71 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.599 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.2 mp -81.9 15.62 2.19 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.504 -1.278 . . . . 0.0 113.914 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 6.7 p-80 -92.59 -34.36 14.05 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.001 -1.48 . . . . 0.0 111.007 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' R' ' 37' ' ' PRO . 1.1 tp -51.2 -49.17 83.09 Favored Pre-proline 0 N--CA 1.489 1.511 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 4.6 Cg_exo -58.77 -64.55 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 CA-C-N 118.829 0.618 . . . . 0.0 112.198 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.488 ' HG ' ' N ' ' R' ' 39' ' ' LEU . 1.1 pp -61.15 -31.07 70.8 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.674 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.488 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 36.4 tp -64.56 -34.65 78.73 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.471 -1.292 . . . . 0.0 109.346 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.496 HD22 HD11 ' R' ' 43' ' ' LEU . 2.2 m120 -72.96 -35.06 66.85 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.315 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.722 HD23 ' N ' ' R' ' 42' ' ' MET . 0.0 OUTLIER -45.27 -26.04 0.46 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.722 ' N ' HD23 ' R' ' 41' ' ' LEU . 0.0 OUTLIER -102.65 41.25 1.26 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.822 0.82 . . . . 0.0 109.227 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.496 HD11 HD22 ' R' ' 40' ' ' ASN . 2.9 mt -69.51 11.47 0.25 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.653 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -54.13 147.08 27.38 Favored Pre-proline 0 C--N 1.3 -1.553 0 C-N-CA 118.294 -1.362 . . . . 0.0 110.14 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.82 -28.15 75.31 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.33 1.354 . . . . 0.0 111.708 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -60.13 -52.66 64.4 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' R' ' 46' ' ' ASP . 5.3 mm-40 -60.17 -36.01 76.65 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -59.37 4.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.526 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.76 -21.34 10.75 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.612 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.5 -24.86 25.4 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.583 HD13 ' C ' ' R' ' 51' ' ' LEU . 1.4 tm? -70.36 -75.73 0.11 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.413 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' R' ' 51' ' ' LEU . . . -37.59 -45.64 1.44 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.947 -1.121 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . 0.514 ' O ' ' N ' ' R' ' 55' ' ' VAL . 13.9 p -61.49 -60.85 3.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.972 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' R' ' 53' ' ' THR . 37.9 ttm180 -37.54 -27.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' R' ' 53' ' ' THR . 12.6 t -85.9 -35.51 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 119.228 -0.989 . . . . 0.0 111.958 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' R' ' 53' ' ' THR . 5.5 mmt85 -54.93 -47.3 74.61 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.975 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.565 HD13 ' H ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -53.47 -72.39 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.99 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' R' ' 57' ' ' ILE . 27.7 t -40.5 -53.28 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.764 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -45.76 -39.05 7.7 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' R' ' 57' ' ' ILE . 2.1 tp10 -68.61 -52.29 33.14 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.803 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -45.56 -23.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -41.35 -52.29 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.444 -0.903 . . . . 0.0 111.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -126.46 14.51 7.66 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.19 17.38 58.97 Favored Glycine 0 N--CA 1.493 2.447 0 C-N-CA 119.406 -1.378 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.07 11.27 12.07 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . 0.529 ' SD ' ' N ' ' R' ' 66' ' ' MET . 0.2 OUTLIER -91.61 -61.78 1.57 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.575 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -148.8 167.72 24.87 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.538 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.65 -47.75 84.4 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.51 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -64.59 -18.36 64.82 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.678 -0.809 . . . . 0.0 112.169 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' R' ' 70' ' ' GLU . 0.3 OUTLIER -75.49 -35.6 60.79 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.826 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -46.78 -76.62 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.505 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 120.95 21.11 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.768 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . 0.493 ' CG ' ' H ' ' R' ' 74' ' ' GLU . 9.6 p30 -81.96 -94.04 0.05 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.865 -1.134 . . . . 0.0 111.942 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . 0.493 ' H ' ' CG ' ' R' ' 73' ' ' ASN . 5.8 pt-20 -157.74 32.92 0.26 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.482 -1.287 . . . . 0.0 112.168 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.04 -34.11 76.97 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.222 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.44 -57.49 0.39 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.533 -1.318 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.11 -124.01 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.04 -20.9 36.99 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 119.456 -1.354 . . . . 0.0 110.655 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.8 -31.21 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.446 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . 0.576 ' O ' HG22 ' R' ' 83' ' ' THR . . . -50.08 -39.26 41.9 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.447 -0.901 . . . . 0.0 111.464 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -33.87 40.97 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.733 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mt -88.77 23.08 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 119.046 -1.061 . . . . 0.0 111.193 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . 0.576 HG22 ' O ' ' R' ' 80' ' ' ALA . 11.8 t -103.29 14.09 32.35 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -48.11 32.65 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.8 168.19 24.36 Favored Glycine 0 N--CA 1.488 2.104 0 C-N-CA 118.979 -1.581 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -157.75 4.19 0.12 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.244 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -113.15 40.83 2.24 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.145 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 17.4 m 56.03 76.28 0.29 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 15.9 tp -87.23 -71.14 0.57 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.456 -0.897 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' R' ' 91' ' ' ALA . 0.0 OUTLIER -82.27 -19.72 38.98 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.638 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' R' ' 92' ' ' ALA . . . 167.86 -71.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.515 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' R' ' 91' ' ' ALA . . . 167.25 149.2 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.746 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' R' ' 95' ' ' GLU . 5.3 Cg_endo -65.11 -33.65 49.29 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 121.058 1.172 . . . . 0.0 111.099 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.77 -24.69 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' R' ' 93' ' ' PRO . 9.3 mm-40 -67.07 -38.54 85.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.414 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' R' ' 98' ' ' GLN . 17.9 tp -71.15 -46.43 61.49 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.745 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -43.52 -22.69 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.477 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' R' ' 96' ' ' LEU . 38.3 mm-40 -54.5 -58.43 7.48 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' S' ' 29' ' ' ALA . 36.1 t90 -88.34 -51.67 5.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 118.454 -1.298 . . . . 0.0 112.543 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 tp -46.02 -22.66 0.23 Allowed 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' R' ' 101' ' ' GLU . 16.2 tt0 -71.33 -4.23 24.93 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.294 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.81 -28.01 7.23 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.624 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 0.3 OUTLIER -86.75 -45.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.441 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 48.9 mt -87.53 -62.44 1.5 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 118.296 -1.361 . . . . 0.0 112.113 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' R' ' 104' ' ' LEU . 3.1 tp -38.68 -64.77 0.41 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.754 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -84.41 109.58 17.98 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.244 -0.983 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 116.373 -1.775 . . . . 0.0 110.688 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.486 1.371 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.53 161.27 77.1 Favored Pre-proline 0 C--N 1.304 -1.378 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -5.49 5.54 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 121.778 1.652 . . . . 0.0 111.844 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -64.69 0.75 Allowed 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -173.01 97.15 0.12 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.49 63.85 0.12 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 -77.84 0.09 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . 0.507 ' C ' ' H ' ' S' ' 13' ' ' GLU . 3.1 ptm -162.43 36.02 0.11 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.762 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 1.54 0.13 Allowed 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' S' ' 11' ' ' MET . 1.1 tp10 -85.42 85.83 7.41 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.514 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -132.21 63.98 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.64 44.79 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' S' ' 16' ' ' HIS . 0.5 OUTLIER -179.96 -3.54 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.832 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -99.38 -40.03 8.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.423 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' S' ' 19' ' ' TRP . 2.2 mm-40 -96.96 -31.75 12.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.828 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.537 ' O ' HG22 ' S' ' 23' ' ' VAL . 63.3 t-105 -38.16 -46.58 1.06 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.395 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.92 -54.47 5.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -49.71 3.87 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' S' ' 25' ' ' LEU . 42.7 t80 -82.47 -66.03 0.94 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.537 HG22 ' O ' ' S' ' 19' ' ' TRP . 11.9 m -34.95 -39.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.994 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.506 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.2 OUTLIER -58.55 -44.01 89.5 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.968 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' S' ' 22' ' ' PHE . 39.7 mt -63.93 -39.98 95.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.178 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.81 -39.04 62.07 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 118.969 -1.093 . . . . 0.0 110.051 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -67.62 -28.69 67.95 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.782 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -66.55 -45.71 78.49 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.052 -1.059 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -64.88 -39.46 93.58 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.622 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -47.04 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.714 -0.795 . . . . 0.0 110.461 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.6 tt0 -15.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.213 1.571 . . . . 0.0 113.393 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' S' ' 34' ' ' LEU . 29.9 m120 -73.38 33.85 0.08 Allowed 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.1 OUTLIER 32.39 28.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 121.754 0.787 . . . . 0.0 111.244 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.6 OUTLIER -93.25 14.05 19.4 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.766 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.505 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 5.0 p-80 -97.96 4.53 49.42 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.973 -1.012 . . . . 0.0 113.381 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -47.67 -52.28 39.24 Favored Pre-proline 0 C--N 1.298 -1.647 0 C-N-CA 117.081 -1.848 . . . . 0.0 111.767 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' S' ' 40' ' ' ASN . 5.1 Cg_exo -63.12 -67.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.054 0 N-CA-C 110.322 -0.684 . . . . 0.0 110.322 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.6 OUTLIER -44.62 -52.43 8.15 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.05 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 63.1 tp -47.67 -38.38 14.82 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 118.306 -1.358 . . . . 0.0 109.834 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -81.57 -20.66 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' S' ' 41' ' ' LEU . 1.0 OUTLIER -56.99 -34.1 67.79 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.304 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 46.97 1.43 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.98 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' S' ' 44' ' ' THR . 5.2 mt -81.92 -80.06 0.16 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.19 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.538 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.0 OUTLIER 46.53 171.63 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.438 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -75.73 -42.92 0.38 Allowed 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 120.904 1.069 . . . . 0.0 112.175 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -55.25 -60.91 2.74 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.129 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.83 -25.72 65.7 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.32 -0.952 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -57.09 -46.25 82.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.743 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' S' ' 49' ' ' GLU . 14.1 tt0 -84.57 4.07 33.81 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.16 -24.82 13.55 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.901 HD12 ' N ' ' S' ' 52' ' ' GLY . 4.0 pp -63.68 -51.5 64.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.389 -1.325 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . 0.901 ' N ' HD12 ' S' ' 51' ' ' LEU . . . -56.58 -50.15 64.98 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 118.908 -1.615 . . . . 0.0 109.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -57.41 -58.64 7.38 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.363 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' S' ' 57' ' ' ILE . 8.8 ttp85 -44.87 -23.8 0.16 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.741 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.423 HG11 ' OE2' ' R' ' 18' ' ' GLU . 76.2 t -91.29 -35.7 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 119.042 -1.063 . . . . 0.0 112.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' S' ' 57' ' ' ILE . 3.2 mtm-85 -58.57 -47.86 82.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.025 -1.07 . . . . 0.0 111.296 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.655 HD12 HD21 ' R' ' 41' ' ' LEU . 0.2 OUTLIER -45.09 -76.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 119.134 -1.026 . . . . 0.0 109.394 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' S' ' 57' ' ' ILE . 33.3 t -29.91 -58.01 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 124.239 0.962 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.28 -69.19 0.19 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.723 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.5 -9.52 49.59 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.734 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.5 OUTLIER -83.04 -38.03 23.12 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.515 -1.674 . . . . 0.0 110.684 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 tp -82.12 -24.12 35.3 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.148 -1.421 . . . . 0.0 110.785 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' S' ' 63' ' ' ARG . 8.6 ttp180 -92.65 -5.79 50.71 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.95 -30.98 67.31 Favored Glycine 0 N--CA 1.49 2.291 0 C-N-CA 119.306 -1.426 . . . . 0.0 109.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -44.18 -43.95 7.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -46.23 9.07 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.8 98.23 10.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.082 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -85.8 -63.2 1.36 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.757 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . 0.494 ' O ' ' NZ ' ' S' ' 72' ' ' LYS . 1.3 mtt-85 -53.99 -42.18 68.73 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.731 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -81.26 44.62 0.79 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.37 -0.932 . . . . 0.0 111.942 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . 0.456 ' O ' HD23 ' S' ' 71' ' ' LEU . 1.0 OUTLIER -71.81 -53.19 14.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.951 -1.1 . . . . 0.0 110.641 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' S' ' 69' ' ' ARG . 0.0 OUTLIER -92.14 70.08 5.32 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.97 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -88.97 17.62 5.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.236 -0.986 . . . . 0.0 111.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -72.73 -83.01 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.319 -0.952 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' S' ' 75' ' ' LEU . 0.2 OUTLIER -129.53 -32.58 1.93 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.432 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.18 -25.73 0.35 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.204 -1.474 . . . . 0.0 110.698 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.55 -168.99 2.2 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.662 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.83 29.77 31.0 Favored Glycine 0 N--CA 1.487 2.095 0 C-N-CA 119.386 -1.387 . . . . 0.0 110.272 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.499 HD13 ' O ' ' S' ' 79' ' ' ILE . 0.0 OUTLIER -86.32 -5.49 10.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.981 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' S' ' 84' ' ' ARG . . . -81.07 -56.63 3.97 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . 0.443 HG22 ' H ' ' S' ' 81' ' ' THR . 0.2 OUTLIER -45.14 -23.1 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.658 -0.817 . . . . 0.0 111.568 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 45.0 mt -92.03 -67.58 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.596 ' O ' HG22 ' S' ' 83' ' ' THR . 98.5 m -92.23 31.97 1.23 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' S' ' 80' ' ' ALA . 0.4 OUTLIER -34.48 -63.08 0.31 Allowed 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.607 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.17 145.97 10.75 Favored Glycine 0 N--CA 1.489 2.177 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 5.0 t -56.46 -69.12 0.16 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.739 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 42.2 35.25 0.57 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.532 -0.867 . . . . 0.0 111.015 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -166.56 76.18 0.19 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.68 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.95 20.21 15.89 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.45 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' S' ' 91' ' ' ALA . 41.4 mmtt -101.34 -76.14 0.57 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.762 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' S' ' 90' ' ' LYS . . . 169.21 48.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.84 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' S' ' 93' ' ' PRO . . . -74.52 -43.28 5.38 Favored Pre-proline 0 C--N 1.304 -1.391 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.125 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 3.3 Cg_endo -72.01 -15.77 29.13 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.205 1.27 . . . . 0.0 111.967 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . 0.534 HG21 ' HB1' ' S' ' 91' ' ' ALA . 5.7 t -61.17 -14.9 11.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.29 -11.0 42.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.817 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.499 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -88.04 -45.88 9.8 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.934 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -25.16 2.4 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.178 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -63.72 0.95 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.245 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.599 ' CD1' HD23 ' R' ' 34' ' ' LEU . 34.9 t90 -83.46 -60.12 2.23 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.787 -1.165 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.499 HD13 HD22 ' S' ' 96' ' ' LEU . 1.5 tp -30.26 -53.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.484 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.14 -48.94 78.7 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.598 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.42 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.8 -0.76 . . . . 0.0 112.87 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 p -101.43 -22.91 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 C-N-CA 119.176 -1.01 . . . . 0.0 112.996 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -39.07 8.21 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.056 -1.057 . . . . 0.0 112.374 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -49.38 -37.43 25.0 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.781 -1.168 . . . . 0.0 111.564 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -76.7 144.49 39.32 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 116.297 -1.811 . . . . 0.0 110.615 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.865 0.364 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 53.99 68.9 2.46 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 119.554 -0.858 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' R' ' 7' ' ' TYR . 4.3 Cg_exo -63.14 141.08 81.53 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.672 1.581 . . . . 0.0 111.4 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' R' ' 7' ' ' TYR . 0.1 OUTLIER 56.12 174.54 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.684 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.28 103.3 0.74 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.776 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.2 -63.0 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.44 156.37 24.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 42.0 mtm -132.35 15.36 4.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.9 86.1 2.33 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.724 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -158.15 51.58 0.42 Allowed 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.324 -0.95 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -148.92 24.84 0.94 Allowed 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' R' ' 16' ' ' HIS . 5.6 ptt180 -160.14 169.54 23.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.19 -1.004 . . . . 0.0 110.947 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' R' ' 15' ' ' ARG . 3.6 t60 75.32 -28.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' R' ' 15' ' ' ARG . 4.3 pt20 -89.07 -20.19 24.66 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 118.91 -1.116 . . . . 0.0 111.019 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' R' ' 20' ' ' LEU . 3.8 pt-20 -106.04 -36.95 6.79 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.638 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.454 ' O ' ' CG ' ' R' ' 19' ' ' TRP . 25.4 t-105 -48.48 -10.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.387 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' R' ' 18' ' ' GLU . 34.3 mt -112.7 -53.2 2.73 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -58.24 9.05 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -48.24 24.26 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.852 -1.139 . . . . 0.0 113.914 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.454 HG23 ' H ' ' R' ' 23' ' ' VAL . 5.6 t -48.65 -39.68 10.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 C-N-CA 118.477 -1.289 . . . . 0.0 111.787 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -28.1 69.19 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.74 -33.05 68.37 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.577 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.86 -45.78 64.2 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.316 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -62.69 -26.96 68.92 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -54.49 37.1 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 117.969 -1.492 . . . . 0.0 109.125 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.05 -49.48 21.31 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.492 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' R' ' 32' ' ' ASN . 9.8 m-85 -46.93 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.866 -1.534 . . . . 0.0 110.449 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.0 OUTLIER 1.5 -68.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.767 2.542 . . . . 0.0 112.256 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.4 m-80 -76.34 -98.46 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.509 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.972 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.07 23.8 0.49 Allowed 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' R' ' 34' ' ' LEU . 3.2 mm? -89.83 10.34 24.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 6.4 p-80 -67.96 -53.22 27.79 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.019 -1.872 . . . . 0.0 110.168 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.3 mm? -26.7 -63.01 0.16 Allowed Pre-proline 0 N--CA 1.506 2.335 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 4.7 Cg_endo -53.01 -90.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 120.922 1.081 . . . . 0.0 113.262 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' R' ' 39' ' ' LEU . 0.6 OUTLIER -48.15 -46.33 34.33 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 119.1 -1.04 . . . . 0.0 111.619 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' R' ' 38' ' ' LEU . 40.0 tp -35.49 -46.21 0.38 Allowed 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.661 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' R' ' 42' ' ' MET . 12.0 t-20 -71.49 -43.44 66.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.536 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' R' ' 38' ' ' LEU . 3.6 tp -67.95 4.56 1.14 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.54 -0.864 . . . . 0.0 110.555 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.452 ' H ' ' C ' ' R' ' 40' ' ' ASN . 1.1 tmt? -106.67 -35.77 6.92 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.776 -0.769 . . . . 0.0 112.135 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' R' ' 44' ' ' THR . 12.7 mt -101.01 -32.1 10.78 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.473 -0.891 . . . . 0.0 112.766 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.503 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER 56.05 156.58 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.542 -0.863 . . . . 0.0 108.783 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -40.85 -61.46 0.48 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.605 1.536 . . . . 0.0 113.039 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.13 -58.29 1.18 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.11 -9.47 56.62 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 118.689 -1.205 . . . . 0.0 111.948 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -66.76 -64.74 0.79 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 117.729 -1.588 . . . . 0.0 109.683 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -50.9 -24.68 3.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.882 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.6 81.44 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.9 -36.21 7.3 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.072 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.27 58.25 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 108.032 -2.027 . . . . 0.0 108.032 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 9.5 m -50.62 -24.65 3.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' R' ' 56' ' ' ARG . 0.0 OUTLIER -72.92 -66.37 0.68 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.314 -0.954 . . . . 0.0 109.181 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.505 HG13 ' CD1' ' S' ' 22' ' ' PHE . 88.1 t -45.85 -15.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 C-N-CA 119.254 -0.979 . . . . 0.0 110.732 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' R' ' 54' ' ' ARG . 0.0 OUTLIER -67.69 -49.17 64.08 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.688 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -62.71 -76.59 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 118.536 -1.266 . . . . 0.0 110.073 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.579 HG23 ' N ' ' R' ' 59' ' ' GLU . 27.6 m -35.39 -46.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.493 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . 0.579 ' N ' HG23 ' R' ' 58' ' ' VAL . 26.8 tt0 -58.91 -45.68 89.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.024 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.6 -30.38 62.96 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.733 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' R' ' 63' ' ' ARG . 13.1 mt -70.22 -19.33 63.16 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.124 -1.031 . . . . 0.0 111.386 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.507 HD23 ' O ' ' R' ' 59' ' ' GLU . 0.4 OUTLIER -38.33 -26.03 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.566 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' R' ' 61' ' ' LEU . 6.3 mmt180 -78.79 -92.24 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.643 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.91 -101.32 1.17 Allowed Glycine 0 N--CA 1.496 2.695 0 C-N-CA 119.77 -1.205 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -178.3 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 2.9 mmt -70.47 -90.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -179.27 58.55 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.684 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.77 -66.83 0.48 Allowed 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.399 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -96.78 -92.17 0.23 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.762 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -137.49 70.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.838 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 27.7 mt -103.95 7.8 36.73 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.731 -0.787 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -160.36 51.62 0.3 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.561 -0.856 . . . . 0.0 110.636 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -91.99 24.95 3.0 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.731 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' R' ' 75' ' ' LEU . 3.9 tt0 46.01 65.53 1.15 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.966 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' R' ' 74' ' ' GLU . 5.5 mt -36.5 -72.17 0.06 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.769 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.89 -2.03 5.15 Favored Glycine 0 N--CA 1.494 2.506 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.203 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.46 -20.7 13.17 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.33 131.05 1.18 Allowed Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.443 HD12 ' N ' ' R' ' 79' ' ' ILE . 1.7 mp -88.96 -27.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.437 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.56 -100.42 0.08 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.49 10.31 8.51 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.819 -0.753 . . . . 0.0 112.663 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 57.6 mt -54.02 -28.45 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 117.736 -1.586 . . . . 0.0 109.501 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . 0.507 ' O ' ' C ' ' R' ' 84' ' ' ARG . 7.3 m -87.18 24.07 1.66 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.514 -0.875 . . . . 0.0 109.299 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . 0.507 ' C ' ' O ' ' R' ' 83' ' ' THR . 0.4 OUTLIER -4.61 -69.54 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.818 1.323 . . . . 0.0 113.454 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.65 78.22 0.09 OUTLIER Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.473 -1.346 . . . . 0.0 110.732 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . 0.416 ' N ' ' O ' ' R' ' 84' ' ' ARG . 3.7 m -103.29 -27.44 12.47 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -132.05 -86.46 0.47 Allowed 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 1.3 p -169.71 59.97 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' R' ' 91' ' ' ALA . 1.0 OUTLIER -113.84 3.01 15.3 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.787 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -76.81 25.53 0.14 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' R' ' 89' ' ' LEU . . . -73.53 -25.97 60.65 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.408 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.88 64.37 2.63 Favored Pre-proline 0 N--CA 1.489 1.477 0 C-N-CA 118.592 -1.243 . . . . 0.0 112.69 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -72.61 -29.88 12.63 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.539 1.492 . . . . 0.0 110.545 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.72 -21.7 7.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.31 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.51 -10.54 26.43 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.021 -1.072 . . . . 0.0 110.294 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.414 HD23 ' O ' ' R' ' 96' ' ' LEU . 1.4 tt -94.05 -40.13 10.24 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.385 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . 0.459 ' CG ' HH11 ' R' ' 97' ' ' ARG . 4.0 mtp85 -54.11 -19.09 4.41 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.314 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' R' ' 96' ' ' LEU . 1.1 mm100 -47.0 -53.36 12.58 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.551 ' HB2' HD23 ' S' ' 34' ' ' LEU . 35.3 t90 -95.99 -53.98 3.48 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.103 -1.039 . . . . 0.0 112.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.42 -53.99 2.53 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -50.76 -22.47 2.14 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.373 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -91.99 -27.52 17.78 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.385 -0.926 . . . . 0.0 113.433 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.404 ' H ' HG12 ' R' ' 103' ' ' VAL . 0.8 OUTLIER -92.47 -42.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 118.488 -1.285 . . . . 0.0 112.996 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' R' ' 62' ' ' LEU . 4.8 mt -81.18 -51.07 8.83 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.518 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER -67.18 -4.82 11.33 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.471 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mttt 48.1 -155.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.304 -1.391 0 CA-C-O 116.266 -1.826 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.912 0.387 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.49 163.31 0.32 Allowed Pre-proline 0 C--N 1.305 -1.361 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -58.65 -68.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.324 1.349 . . . . 0.0 111.333 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' S' ' 8' ' ' SER . 0.1 OUTLIER -90.13 -49.99 6.26 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.688 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' S' ' 7' ' ' TYR . 0.1 OUTLIER 169.2 149.78 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.329 -0.948 . . . . 0.0 111.167 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.84 -55.96 2.45 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.39 -128.69 0.1 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.472 -0.891 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 3.4 tpt -145.59 74.49 1.39 Allowed 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.474 -0.891 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' S' ' 13' ' ' GLU . . . -63.3 106.48 0.9 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.593 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' S' ' 12' ' ' ALA . 27.4 mt-10 -52.33 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 46.98 48.08 15.52 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' S' ' 16' ' ' HIS . 2.4 tpp180 -138.32 -159.26 0.94 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.795 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' S' ' 15' ' ' ARG . 1.4 m-70 45.15 53.17 8.07 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -114.19 -45.45 3.05 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.77 -19.45 27.51 Favored 'General case' 0 C--N 1.307 -1.283 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -63.06 -23.08 67.28 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.9 -60.71 1.6 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.942 -0.703 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm-85 -58.07 -41.88 84.35 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.505 ' CD1' HG13 ' R' ' 55' ' ' VAL . 0.3 OUTLIER -83.93 -44.34 14.34 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.429 -1.309 . . . . 0.0 112.677 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.15 -30.93 30.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 C-N-CA 118.151 -1.42 . . . . 0.0 109.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.1 -22.24 62.53 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.304 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.26 -36.66 26.9 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.435 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.16 -43.17 70.39 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.065 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -22.75 66.78 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -57.99 5.94 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 118.561 -1.255 . . . . 0.0 110.207 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.449 ' HB2' ' CE3' ' R' ' 99' ' ' TRP . . . -51.87 -44.61 63.77 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.408 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.724 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -45.18 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 118.679 -1.209 . . . . 0.0 110.602 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.521 ' C ' ' H ' ' S' ' 33' ' ' ASP . 7.7 mt-30 -16.02 -70.87 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 125.354 1.658 . . . . 0.0 112.954 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.649 HD22 ' N ' ' S' ' 32' ' ' ASN . 1.6 m120 -75.63 36.16 0.13 Allowed 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.152 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.724 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 30.06 30.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.214 0.946 . . . . 0.0 111.622 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.3 OUTLIER -96.28 15.42 21.16 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.83 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.545 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 16.2 p-80 -94.05 -10.84 32.16 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.882 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.471 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.0 mt -57.04 -44.85 99.94 Favored Pre-proline 0 C--N 1.296 -1.727 0 C-N-CA 117.538 -1.665 . . . . 0.0 113.094 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 2.2 Cg_endo -66.53 -58.68 0.15 Allowed 'Trans proline' 0 C--N 1.32 -0.926 0 C-N-CA 120.373 0.716 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.579 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.5 pp -60.23 -42.51 95.39 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 118.093 -1.443 . . . . 0.0 109.545 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.44 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 16.1 tp -48.73 -44.4 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 118.145 -1.422 . . . . 0.0 107.275 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.58 -33.95 34.85 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.03 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.65 -22.62 64.39 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 22.4 mtm -104.03 -3.74 24.2 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.951 -0.7 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.7 OUTLIER -42.12 -66.75 0.32 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.022 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.473 ' O ' ' O ' ' S' ' 43' ' ' LEU . 7.3 m 56.37 119.65 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 123.646 0.591 . . . . 0.0 110.065 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -52.79 -60.51 0.7 Allowed 'Trans proline' 0 C--O 1.214 -0.681 0 C-N-CA 120.731 0.954 . . . . 0.0 113.026 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -42.3 -36.97 1.38 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.666 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.469 ' OE2' ' NH2' ' R' ' 54' ' ' ARG . 4.4 mm-40 -81.07 -38.13 27.86 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.389 -0.925 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -48.39 -54.4 14.15 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.967 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -63.26 -10.18 14.72 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.073 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -39.83 11.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.16 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -51.5 -55.69 17.5 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 118.781 -1.167 . . . . 0.0 111.59 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.36 -51.82 53.75 Favored Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.767 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -51.61 -58.36 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.918 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -53.5 -47.37 69.93 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 t -44.98 -35.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.646 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -45.06 89.26 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.429 -0.908 . . . . 0.0 113.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.57 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.3 pt -54.11 -56.51 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 118.349 -1.34 . . . . 0.0 112.209 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.57 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 0.7 OUTLIER -50.19 -43.33 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 118.268 -1.373 . . . . 0.0 110.687 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' S' ' 58' ' ' VAL . 52.0 mt-10 -71.87 -79.62 0.07 Allowed 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 118.81 -1.156 . . . . 0.0 111.445 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -34.7 -37.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.687 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.6 OUTLIER -73.84 -40.33 63.36 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.231 -1.387 . . . . 0.0 112.177 -179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' S' ' 64' ' ' GLY . 6.1 tt -77.87 -49.02 15.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 118.499 -1.281 . . . . 0.0 111.949 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.25 22.4 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.795 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -60.19 -21.83 57.21 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.54 -1.315 . . . . 0.0 111.217 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -82.17 -49.03 10.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 36.3 mtt -65.31 -55.7 16.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 2.3 p -43.46 151.93 0.16 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.07 -73.85 0.42 Allowed 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 119.564 -0.854 . . . . 0.0 112.58 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . 0.523 ' C ' ' H ' ' S' ' 71' ' ' LEU . 9.3 ttp180 -130.11 -9.23 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.744 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' S' ' 71' ' ' LEU . 0.9 OUTLIER -55.03 -1.36 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.37 -0.932 . . . . 0.0 111.782 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' S' ' 69' ' ' ARG . 10.5 mt -50.9 -178.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.251 -0.979 . . . . 0.0 110.671 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.07 75.4 0.08 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.561 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' S' ' 71' ' ' LEU . 0.2 OUTLIER -80.6 -85.74 0.09 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.175 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.14 48.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.653 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' S' ' 75' ' ' LEU . 0.2 OUTLIER -62.83 -54.16 43.15 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.827 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.9 -34.18 0.57 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.463 -1.351 . . . . 0.0 109.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.62 170.06 16.55 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.8 -43.77 2.73 Favored Glycine 0 N--CA 1.487 2.083 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.46 ' O ' HG22 ' S' ' 83' ' ' THR . 56.3 mt -67.93 -34.43 67.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -10.39 4.9 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 45.9 m -105.21 -32.8 8.47 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.17 -23.47 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.547 HG23 ' O ' ' S' ' 83' ' ' THR . 14.8 t -109.53 34.01 4.03 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.128 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -36.75 -45.98 0.57 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.579 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.88 -82.69 0.31 Allowed Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.795 -1.193 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 6.3 t -41.88 123.62 2.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.973 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.03 -65.71 0.5 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -164.77 158.8 17.93 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp -56.08 -78.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.521 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -76.16 -95.41 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -174.9 61.69 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.471 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . -145.49 61.87 8.12 Favored Pre-proline 0 N--CA 1.488 1.452 0 C-N-CA 118.773 -1.171 . . . . 0.0 112.618 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' S' ' 92' ' ' ALA . 14.0 Cg_endo -79.85 -40.74 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.083 0 C-N-CA 121.859 1.706 . . . . 0.0 111.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.01 -23.57 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.291 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.71 -6.51 8.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' S' ' 98' ' ' GLN . 13.9 tp -87.19 -60.5 1.96 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.189 -1.004 . . . . 0.0 111.445 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' S' ' 96' ' ' LEU . 7.6 mtt-85 -40.57 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.657 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' S' ' 96' ' ' LEU . 61.4 mm-40 -57.71 -57.47 12.61 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -79.43 -56.04 4.62 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.557 -1.257 . . . . 0.0 111.785 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.427 HD13 HD11 ' S' ' 96' ' ' LEU . 4.2 tp -38.93 -29.36 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.353 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.29 -33.05 75.06 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.569 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.821 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 p -92.87 -27.81 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mt -113.65 -50.91 2.82 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 118.997 -1.081 . . . . 0.0 113.714 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.33 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.392 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.28 9.95 0.58 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 116.314 -1.803 . . . . 0.0 110.682 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.78 0.324 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.98 155.15 49.93 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -65.16 96.18 0.27 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 120.976 1.117 . . . . 0.0 111.392 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -84.77 126.39 33.38 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.947 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 25.4 m 50.42 -131.46 1.97 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.781 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.86 29.07 0.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.277 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.31 -163.97 0.5 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 1.1 mmt -79.87 125.36 29.61 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.259 -0.977 . . . . 0.0 110.485 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.54 25.27 0.52 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.095 -1.042 . . . . 0.0 111.586 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.82 -16.41 64.26 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.556 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.84 27.92 9.21 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.649 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . 0.663 ' HE ' ' NH2' ' S' ' 48' ' ' ARG . 0.5 OUTLIER -140.74 177.29 8.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.546 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 64.47 39.75 6.7 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -125.15 -78.42 0.6 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.8 OUTLIER -67.44 -37.03 82.37 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.538 -0.865 . . . . 0.0 111.486 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -41.94 -23.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.598 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' R' ' 18' ' ' GLU . 13.3 mt -90.66 -47.52 7.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.076 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -56.87 -30.64 64.04 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.284 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' R' ' 24' ' ' ASP . 9.8 t80 -69.61 -75.2 0.12 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.477 -1.289 . . . . 0.0 110.605 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' R' ' 22' ' ' PHE . 16.4 m -38.67 -29.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.663 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . 0.488 ' O ' ' ND2' ' R' ' 28' ' ' ASN . 6.2 t70 -66.25 -59.19 3.97 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.299 -0.961 . . . . 0.0 109.734 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.04 -42.54 76.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.76 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.812 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -49.65 -15.07 0.14 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.859 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' R' ' 24' ' ' ASP . 1.0 OUTLIER -77.4 -55.42 5.41 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 118.599 -1.241 . . . . 0.0 109.775 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.88 -39.52 39.8 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.627 ' O ' ' N ' ' R' ' 32' ' ' ASN . 13.4 m-85 -50.38 -65.15 0.61 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 117.599 -1.64 . . . . 0.0 109.509 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' R' ' 30' ' ' TYR . 3.7 tp-100 7.28 -70.4 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 126.777 2.548 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' R' ' 30' ' ' TYR . 5.1 t-20 -86.52 -96.04 0.08 Allowed 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 117.921 -1.511 . . . . 0.0 107.742 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 58.5 m-20 -150.83 24.56 0.76 Allowed 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.03 10.17 25.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 117.683 -1.607 . . . . 0.0 113.846 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.8 p-80 -57.02 -56.59 19.8 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 117.675 -1.61 . . . . 0.0 110.86 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 4.4 mt -32.11 -64.83 0.22 Allowed Pre-proline 0 N--CA 1.504 2.27 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 3.9 Cg_exo -46.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.169 0 C-N-CA 120.851 1.034 . . . . 0.0 113.163 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.755 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -58.85 -41.6 87.35 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.911 -1.516 . . . . 0.0 109.882 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.446 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.0 tp -47.72 -32.24 5.6 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.322 -1.351 . . . . 0.0 108.668 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -88.34 -27.76 21.45 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.234 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -45.35 -52.91 9.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 50.62 1.33 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.903 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.526 ' C ' HG23 ' R' ' 44' ' ' THR . 1.5 mt -59.09 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.59 HG22 ' NH1' ' S' ' 84' ' ' ARG . 1.7 p 56.2 152.78 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.511 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.14 -29.34 86.87 Favored 'Trans proline' 0 C--O 1.216 -0.596 0 C-N-CA 120.769 0.979 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.16 -47.45 68.77 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.51 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.3 -47.12 45.32 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -49.6 -24.37 2.14 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -100.05 -49.24 4.37 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.046 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.64 68.11 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.628 HD13 ' C ' ' R' ' 51' ' ' LEU . 3.1 tm? -66.55 -72.71 0.15 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.04 -36.96 5.39 Favored Glycine 0 N--CA 1.483 1.777 0 C-N-CA 119.214 -1.469 . . . . 0.0 109.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -73.03 -39.52 65.9 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -58.89 -24.96 62.91 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.629 HG13 ' CG ' ' S' ' 22' ' ' PHE . 43.5 t -87.01 -25.99 6.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.444 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -57.01 10.39 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.763 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' R' ' 60' ' ' GLU . 0.5 OUTLIER -49.61 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.81 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.601 HG13 HD21 ' R' ' 100' ' ' LEU . 49.9 t -34.86 -60.13 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.769 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -44.36 -39.65 4.79 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' R' ' 57' ' ' ILE . 4.3 mt-10 -76.96 -48.55 17.75 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.24 -21.88 0.57 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.568 HD13 HD23 ' R' ' 104' ' ' LEU . 13.7 tp -44.1 -77.51 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.356 -0.937 . . . . 0.0 110.384 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -71.75 11.56 0.49 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.472 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -64.3 -13.75 55.02 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' R' ' 65' ' ' GLU . 0.2 OUTLIER -52.26 -49.66 63.63 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.116 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 4.9 mmt -53.99 -23.63 13.96 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.412 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 5.9 t 44.16 51.69 7.24 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.574 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -65.87 -67.56 0.43 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.746 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -129.06 -27.09 2.53 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.412 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.04 16.89 6.25 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.251 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.05 112.63 17.38 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.393 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 44.98 88.67 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.19 -1.004 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.77 11.87 29.7 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . 0.432 ' CG ' ' H ' ' R' ' 75' ' ' LEU . 0.8 OUTLIER -168.64 -95.51 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.717 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . 0.432 ' H ' ' CG ' ' R' ' 74' ' ' GLU . 4.0 mt -90.88 -52.75 4.7 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.11 61.39 3.74 Favored Glycine 0 N--CA 1.492 2.409 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.2 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.45 38.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.417 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 84.51 0.21 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' R' ' 79' ' ' ILE . 10.8 tp -60.95 -12.54 5.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.26 6.82 4.94 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 33.6 p -121.3 -36.95 3.0 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.414 HG21 HD13 ' R' ' 82' ' ' ILE . 3.3 mt -80.54 -39.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -97.4 20.8 11.03 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.777 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.48 72.7 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.61 106.14 0.01 OUTLIER Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.697 -1.239 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -72.17 -171.95 0.82 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.385 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.1 OUTLIER -50.46 -47.99 56.7 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.872 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . 0.424 ' O ' ' O ' ' R' ' 87' ' ' ASN . 7.4 t 43.77 95.39 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.289 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -126.52 -55.8 1.41 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.128 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.58 -61.84 1.35 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.406 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.79 80.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.499 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . 0.606 ' N ' ' CD ' ' R' ' 93' ' ' PRO . . . -106.34 -38.24 0.17 Allowed Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' R' ' 92' ' ' ALA . 5.9 Cg_exo -64.79 -42.66 14.56 Favored 'Trans proline' 0 C--N 1.319 -1.0 0 C-N-CA 121.262 1.308 . . . . 0.0 112.742 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.497 HG12 ' O ' ' R' ' 94' ' ' VAL . 44.3 t -58.06 -7.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.158 -1.017 . . . . 0.0 111.43 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.08 3.9 36.61 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.587 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.94 -49.54 4.74 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -48.62 -24.64 1.41 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.426 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -55.44 -63.83 1.04 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.299 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.849 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 31.2 t90 -72.51 -60.96 1.98 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.251 -1.38 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.601 HD21 HG13 ' R' ' 58' ' ' VAL . 0.1 OUTLIER -33.49 -36.24 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.476 -1.238 . . . . 0.0 113.167 -179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.03 -43.99 73.63 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.723 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.91 -42.96 76.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.418 ' H ' HG12 ' R' ' 103' ' ' VAL . 2.2 p -72.65 -34.56 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.568 HD23 HD13 ' R' ' 62' ' ' LEU . 0.9 OUTLIER -97.12 -0.76 46.48 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.867 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.2 -36.95 9.44 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.31 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -69.32 154.8 41.46 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.722 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 116.43 -1.747 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -159.17 71.72 3.48 Favored Pre-proline 0 N--CA 1.492 1.634 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.991 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -77.02 108.18 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.013 1.808 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -121.47 177.28 5.27 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.8 p -131.76 174.72 9.85 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.673 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.19 -9.76 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.32 104.34 2.76 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -69.83 -40.03 76.09 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.9 171.13 1.29 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.401 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -92.11 131.59 37.25 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -155.11 64.25 0.64 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.634 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -153.83 7.94 0.36 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.689 -1.205 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER -134.7 -8.18 2.45 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.339 -0.945 . . . . 0.0 111.328 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.63 -33.64 64.2 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.947 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.55 -25.09 16.98 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.813 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -46.46 -30.02 2.0 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.21 -27.02 6.99 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -51.14 34.12 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 118.723 -1.191 . . . . 0.0 111.142 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.629 ' CG ' HG13 ' R' ' 55' ' ' VAL . 3.3 m-85 -78.08 -42.22 32.83 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.539 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 37.3 t -54.1 -34.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 118.889 -1.125 . . . . 0.0 109.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.67 -30.14 69.73 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 118.803 -1.159 . . . . 0.0 109.4 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.42 -23.82 46.47 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.77 -33.59 75.49 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 117.842 -1.543 . . . . 0.0 107.824 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -22.34 59.31 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.962 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . 0.483 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 6.7 m-80 -71.83 -37.08 70.36 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.246 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.849 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -73.0 -44.69 60.74 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 4.3 m-85 -45.82 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.75 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' S' ' 33' ' ' ASP . 0.0 OUTLIER -14.2 -65.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.556 1.785 . . . . 0.0 113.02 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.587 ' O ' ' N ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER -76.41 35.03 0.14 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.119 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 6.1 t0 31.23 28.61 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.533 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.7 mp -95.69 15.37 20.23 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 15.1 p-80 -88.57 -28.61 20.61 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.692 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' S' ' 35' ' ' HIS . 2.4 mt -36.92 -55.53 1.58 Allowed Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.371 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -58.33 -66.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.317 -1.095 0 CA-C-N 118.699 0.571 . . . . 0.0 111.193 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.719 ' O ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -49.91 -32.18 14.03 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -61.58 -68.08 0.35 Allowed 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.703 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.59 -30.27 0.88 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' S' ' 41' ' ' LEU . 15.9 tp -44.42 -41.37 6.17 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.716 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -123.97 64.86 1.05 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.4 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.7 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.0 OUTLIER -86.9 -46.53 9.81 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.405 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.576 ' O ' ' O ' ' S' ' 43' ' ' LEU . 3.5 p 43.74 126.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.224 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -58.14 -25.94 73.68 Favored 'Trans proline' 0 C--O 1.219 -0.46 0 CA-C-N 118.852 0.626 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.9 -51.39 68.34 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' S' ' 46' ' ' ASP . 18.7 mt-10 -69.63 -23.63 63.53 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.493 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . 0.663 ' NH2' ' HE ' ' R' ' 15' ' ' ARG . 13.7 ttt85 -59.32 -49.21 78.68 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.783 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.25 -18.56 49.72 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 -10.26 25.59 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.614 -0.835 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' HD13 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -63.78 -77.47 0.05 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.928 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . 0.4 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -47.51 -42.69 19.84 Favored Glycine 0 N--CA 1.481 1.648 0 C-N-CA 118.678 -1.725 . . . . 0.0 109.278 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -56.41 -32.77 65.15 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.449 ' NE ' ' CZ ' ' R' ' 22' ' ' PHE . 12.2 ttp180 -67.94 -25.49 65.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.4 HG12 ' O ' ' S' ' 52' ' ' GLY . 0.3 OUTLIER -77.19 -27.99 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.373 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' S' ' 57' ' ' ILE . 1.6 mtm180 -68.45 -55.42 11.91 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' S' ' 56' ' ' ARG . 0.4 OUTLIER -40.99 -77.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.579 -179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.24 -61.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.55 -72.43 0.05 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.454 -0.898 . . . . 0.0 112.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -51.06 -35.92 37.21 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.57 -37.3 70.38 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . 0.421 ' O ' HD23 ' S' ' 62' ' ' LEU . 1.2 tt -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.261 -0.975 . . . . 0.0 112.09 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 2.11 0.67 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.889 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -90.57 25.66 12.61 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.321 -1.419 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -79.5 19.96 0.59 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.501 -0.88 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -15.62 61.03 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t 176.4 148.33 0.11 Allowed 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -84.26 -65.55 1.0 Allowed 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.736 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . 0.487 ' O ' ' ND2' ' S' ' 73' ' ' ASN . 36.3 mtt180 -58.01 -45.71 86.43 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.595 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -77.07 24.03 0.17 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.994 -1.083 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' S' ' 69' ' ' ARG . 21.2 tp -93.89 133.57 37.17 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.525 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' S' ' 71' ' ' LEU . 44.5 tttt 70.21 8.02 6.47 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.795 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' S' ' 69' ' ' ARG . 10.9 m-80 -90.97 -78.88 0.38 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.11 66.9 0.11 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.632 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.4 -42.83 5.85 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.7 66.15 0.9 Allowed Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.37 24.77 1.4 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.659 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.28 61.27 0.08 OUTLIER Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pt -94.74 25.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.82 -92.07 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 16.2 p -125.67 -7.41 6.8 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.572 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 pp -64.16 -2.14 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 5.6 t -91.63 18.32 7.64 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.59 ' NH1' HG22 ' R' ' 44' ' ' THR . 9.3 tmm_? -59.28 -65.85 0.6 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' S' ' 84' ' ' ARG . . . 45.71 -171.22 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.471 -1.347 . . . . 0.0 110.679 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' S' ' 87' ' ' ASN . 0.9 OUTLIER -166.47 -51.36 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.434 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' S' ' 86' ' ' SER . 0.8 OUTLIER -179.54 164.08 1.26 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.248 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.8 146.24 0.32 Allowed 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.05 -72.77 0.18 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -117.57 -18.66 9.68 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.555 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.29 96.57 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.731 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.1 77.23 71.64 Favored Pre-proline 0 N--CA 1.493 1.714 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.749 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.466 ' C ' ' N ' ' S' ' 95' ' ' GLU . 10.8 Cg_endo -78.38 4.3 6.42 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.813 1.675 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . 0.437 ' H ' HG23 ' S' ' 94' ' ' VAL . 2.7 t -46.04 -19.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.032 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' S' ' 93' ' ' PRO . 2.5 mt-10 -76.27 -35.87 58.71 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.528 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' S' ' 93' ' ' PRO . 0.9 OUTLIER -66.52 -42.88 86.59 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.522 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -50.35 -25.89 4.32 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.551 -0.86 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -59.82 -63.8 1.17 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.557 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' S' ' 102' ' ' GLU . 35.1 t90 -66.57 -64.94 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.339 -1.345 . . . . 0.0 109.965 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' S' ' 99' ' ' TRP . 0.2 OUTLIER -23.47 -54.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.56 1.163 . . . . 0.0 112.326 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.57 -45.82 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.821 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' S' ' 99' ' ' TRP . 35.5 mm-40 -73.1 -12.25 60.83 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.71 -36.26 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 118.75 -1.18 . . . . 0.0 113.511 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.8 mt -104.77 -82.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.183 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -43.71 -61.19 1.49 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.437 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm 51.45 82.66 0.06 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.109 -1.037 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.305 -1.367 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.92 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.57 164.87 32.07 Favored Pre-proline 0 N--CA 1.487 1.418 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -56.12 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.321 1.347 . . . . 0.0 111.28 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.82 -67.99 0.7 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.452 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.91 108.19 2.61 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.056 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 126.89 20.06 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.51 -81.29 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.271 -0.971 . . . . 0.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtp -144.73 167.03 23.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.496 -0.882 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.7 66.12 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.389 -0.925 . . . . 0.0 110.798 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.66 95.2 7.13 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -126.26 175.66 7.65 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . 0.501 ' NH1' ' OE2' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -55.06 179.97 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.206 -0.998 . . . . 0.0 110.455 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' R' ' 15' ' ' ARG . 2.1 t-80 73.66 -42.92 0.53 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.49 -19.58 0.91 Allowed 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.555 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.577 ' CD ' HG11 ' S' ' 55' ' ' VAL . 2.0 tt0 -93.01 -28.88 16.13 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.381 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.504 ' O ' HG21 ' R' ' 23' ' ' VAL . 75.6 t-105 -61.51 -5.26 1.68 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.732 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -118.78 -48.13 2.48 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -53.7 55.18 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.72 -38.03 55.01 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.988 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.504 HG21 ' O ' ' R' ' 19' ' ' TRP . 38.5 t -56.89 -26.39 24.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 118.67 -1.212 . . . . 0.0 109.551 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.84 -14.34 62.37 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.103 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.04 -39.93 11.36 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -47.07 -31.42 3.36 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -72.94 -44.76 60.78 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.983 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . 0.425 HD22 ' N ' ' R' ' 28' ' ' ASN . 1.1 m-80 -47.8 -44.23 28.49 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.005 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -67.71 -59.68 3.14 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.712 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -36.96 -67.32 0.18 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.7 tt0 8.95 -67.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 126.929 2.643 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.712 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.5 t-20 -98.16 -90.48 0.28 Allowed 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.492 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 55.9 m-20 -153.66 25.44 0.51 Allowed 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.473 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 3.2 mt -88.51 18.01 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -100.12 -27.72 13.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.041 -1.063 . . . . 0.0 110.693 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.411 ' N ' ' CD ' ' R' ' 37' ' ' PRO . 1.1 mt -51.25 -48.98 84.3 Favored Pre-proline 0 N--CA 1.488 1.434 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' R' ' 36' ' ' LEU . 6.2 Cg_endo -68.06 -58.64 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 120.013 0.475 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.753 ' O ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -55.78 -33.37 64.29 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.121 179.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.3 tp -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.42 -1.312 . . . . 0.0 108.367 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -74.4 -20.31 60.1 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.503 ' O ' ' NH1' ' S' ' 84' ' ' ARG . 61.7 tp -47.39 -57.12 5.66 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.182 -1.007 . . . . 0.0 109.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.437 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -107.23 51.48 0.74 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.005 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.871 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.3 OUTLIER -73.02 8.3 1.65 Allowed 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.763 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.448 ' O ' ' OE1' ' R' ' 47' ' ' GLU . 1.0 OUTLIER -42.34 154.3 0.28 Allowed Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.842 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -56.48 -19.09 27.76 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 121.182 1.255 . . . . 0.0 111.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.59 63.7 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.761 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' R' ' 44' ' ' THR . 17.0 mp0 -82.47 -37.6 25.13 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -48.06 -52.73 18.96 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -48.98 -22.77 0.93 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.677 -0.809 . . . . 0.0 111.299 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -99.4 -63.92 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.563 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.511 HD13 ' C ' ' R' ' 51' ' ' LEU . 0.7 OUTLIER -30.53 -71.41 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 123.686 0.616 . . . . 0.0 111.815 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.76 -59.12 7.62 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.508 -1.33 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 15.23 1.22 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.421 -0.911 . . . . 0.0 112.253 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' R' ' 50' ' ' ALA . 15.8 ttt180 -106.81 -37.4 6.39 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -29.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.581 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -56.27 -48.04 77.39 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.846 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.507 HG22 HG23 ' R' ' 82' ' ' ILE . 0.3 OUTLIER -50.9 -75.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.569 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' R' ' 57' ' ' ILE . 96.4 t -28.17 -50.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 124.338 1.024 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . 0.4 ' CG ' ' CE1' ' S' ' 22' ' ' PHE . 1.6 mm-40 -61.06 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.49 -48.29 2.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.463 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.84 -58.16 3.29 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' R' ' 64' ' ' GLY . 0.2 OUTLIER -68.64 -44.12 74.85 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.001 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.39 19.34 0.13 Allowed 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' R' ' 66' ' ' MET . . . -107.39 -56.88 0.6 Allowed Glycine 0 N--CA 1.496 2.692 0 C-N-CA 119.753 -1.213 . . . . 0.0 111.509 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -2.33 0.4 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.054 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . 0.451 ' H ' ' C ' ' R' ' 64' ' ' GLY . 2.2 tpt -71.01 -17.78 62.62 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.17 -150.95 0.35 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 119.191 -1.004 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -68.62 -74.26 0.13 Allowed 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -127.98 -87.26 0.56 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.452 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 40.95 47.63 2.65 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.81 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.38 9.69 42.29 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.215 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -139.71 46.64 1.87 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.28 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -68.72 -38.19 80.04 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.44 -83.9 0.16 Allowed 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.254 -0.979 . . . . 0.0 111.538 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.08 -77.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.747 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 -49.34 0.93 Allowed Glycine 0 N--CA 1.497 2.726 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.593 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.4 169.59 17.01 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' R' ' 80' ' ' ALA . . . 84.95 16.24 65.69 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.582 -1.294 . . . . 0.0 110.677 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.42 ' C ' ' H ' ' R' ' 81' ' ' THR . 9.5 tt -50.28 -8.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.879 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' R' ' 78' ' ' GLY . . . -59.27 -3.95 0.48 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.352 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . 0.42 ' H ' ' C ' ' R' ' 79' ' ' ILE . 70.0 p -99.71 -36.72 9.38 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.507 HG23 HG22 ' R' ' 57' ' ' ILE . 3.7 mt -76.38 -48.98 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.634 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . 0.423 ' O ' HG23 ' R' ' 83' ' ' THR . 15.2 t -91.83 25.61 2.7 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.227 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' R' ' 85' ' ' GLY . 8.5 ttp180 -51.0 -98.11 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.092 -1.043 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' R' ' 84' ' ' ARG . . . 74.41 45.07 25.42 Favored Glycine 0 N--CA 1.49 2.275 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.58 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -56.03 4.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.93 156.98 3.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . 0.523 ' C ' ' H ' ' R' ' 90' ' ' LYS . 0.1 OUTLIER -84.82 -162.26 0.67 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.726 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.65 -4.45 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.498 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' R' ' 88' ' ' SER . 23.0 mttm -49.98 -67.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.366 -0.934 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.81 -29.21 18.24 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.26 71.72 1.47 Allowed Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -63.08 -15.57 48.83 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.589 1.526 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.431 ' H ' HG23 ' R' ' 94' ' ' VAL . 4.1 t -62.07 -14.68 12.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.592 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.63 -7.91 59.07 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.247 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.85 -41.6 14.86 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.69 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -51.56 -25.62 7.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.9 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -48.05 -64.85 0.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 32.4 t90 -76.39 -57.29 3.95 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.95 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.22 -29.96 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.654 -1.157 . . . . 0.0 113.009 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.05 -31.68 61.35 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.476 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' R' ' 99' ' ' TRP . 48.0 mt-10 -82.33 -17.78 44.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.671 HG13 ' N ' ' R' ' 104' ' ' LEU . 10.8 p -97.83 -49.43 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.671 ' N ' HG13 ' R' ' 103' ' ' VAL . 5.1 mt -90.74 -29.94 17.35 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.425 -1.31 . . . . 0.0 112.904 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' R' ' 105' ' ' LEU . 0.2 OUTLIER -79.56 27.71 0.27 Allowed 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.673 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' R' ' 104' ' ' LEU . 5.9 ptmm? -73.02 155.27 39.99 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 116.349 -1.786 . . . . 0.0 110.67 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -141.02 67.67 27.36 Favored Pre-proline 0 N--CA 1.486 1.347 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.317 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -63.32 155.12 63.85 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.473 1.449 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -53.81 -78.2 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -148.49 147.96 29.69 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.26 126.44 12.17 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.536 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.73 94.61 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.354 -0.939 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . 0.425 ' SD ' ' C ' ' S' ' 11' ' ' MET . 0.0 OUTLIER -157.33 30.86 0.28 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' S' ' 13' ' ' GLU . . . -161.87 -6.49 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . 0.408 ' H ' ' H ' ' S' ' 12' ' ' ALA . 4.1 pt-20 -170.82 129.47 0.79 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -81.03 -115.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 -135.2 100.78 4.64 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.702 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.479 ' C ' ' H ' ' S' ' 18' ' ' GLU . 0.4 OUTLIER -153.25 7.46 0.39 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.913 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.23 23.26 0.2 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' S' ' 16' ' ' HIS . 4.6 pt-20 -156.53 -42.09 0.07 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.708 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.401 ' CZ3' ' HG ' ' R' ' 51' ' ' LEU . 66.7 t-105 -48.09 -19.1 0.24 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.207 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' S' ' 18' ' ' GLU . 26.1 mt -125.07 -60.88 1.33 Allowed 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -38.9 0.37 Allowed 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.461 -1.245 . . . . 0.0 113.491 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' S' ' 23' ' ' VAL . 24.0 m-85 -113.87 -35.7 5.04 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.719 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' S' ' 22' ' ' PHE . 2.7 t -47.52 -27.96 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 118.185 -1.406 . . . . 0.0 108.607 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.94 87.23 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.251 -0.98 . . . . 0.0 108.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' S' ' 22' ' ' PHE . 16.9 mt -65.35 -28.93 69.64 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.533 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -54.82 -44.36 73.78 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.82 -1.552 . . . . 0.0 109.028 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.93 -62.17 1.98 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.676 -1.21 . . . . 0.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.433 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -46.64 -49.09 19.66 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.331 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.783 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.7 m-85 -49.87 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' S' ' 30' ' ' TYR . 53.6 tt0 -13.62 -68.48 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 125.4 1.688 . . . . 0.0 112.244 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 7.2 m120 -78.07 36.96 0.24 Allowed 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.98 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.783 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 31.89 27.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.878 0.736 . . . . 0.0 111.746 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.5 tp -96.55 13.44 28.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' S' ' 36' ' ' LEU . 2.5 p-80 -81.07 -27.7 35.59 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 118.337 -1.345 . . . . 0.0 111.332 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' S' ' 35' ' ' HIS . 1.7 mm? -34.69 -57.04 0.79 Allowed Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.829 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 13.2 Cg_exo -49.63 -70.52 0.06 OUTLIER 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 120.636 0.891 . . . . 0.0 112.736 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.585 ' C ' HD12 ' S' ' 38' ' ' LEU . 1.7 pp -57.95 -40.02 79.5 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.437 ' N ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.78 -61.78 2.04 Favored 'General case' 0 C--N 1.296 -1.732 0 C-N-CA 118.059 -1.456 . . . . 0.0 108.063 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.49 -37.22 0.67 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.836 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . 0.448 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -46.36 -42.14 14.5 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.57 -1.252 . . . . 0.0 109.844 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.96 33.41 3.05 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.666 -0.814 . . . . 0.0 112.891 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 3.99 1.86 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.235 -0.986 . . . . 0.0 111.758 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . . . . . . . . . 47.3 p -45.55 148.62 1.2 Allowed Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.704 -1.198 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.89 -21.51 20.96 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.916 1.078 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.39 -19.33 65.9 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.734 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 -43.64 4.08 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.779 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -53.17 -51.3 62.48 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' R' ' 15' ' ' ARG . 44.3 mm-40 -68.86 -38.51 79.78 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.365 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.28 77.95 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.646 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 5.4 tt -55.98 -53.16 60.24 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.179 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.17 -39.15 2.92 Favored Glycine 0 N--CA 1.492 2.419 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -71.84 -52.37 17.8 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.422 ' NH2' HD12 ' R' ' 39' ' ' LEU . 13.7 ttm180 -48.49 -27.39 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.262 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.577 HG11 ' CD ' ' R' ' 18' ' ' GLU . 58.6 t -79.01 -47.7 22.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.766 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -50.48 -64.68 0.73 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.466 HG23 ' H ' ' S' ' 58' ' ' VAL . 1.0 OUTLIER -46.02 -56.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 C-N-CA 119.212 -0.995 . . . . 0.0 112.9 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.499 HG13 HD11 ' S' ' 100' ' ' LEU . 99.7 t -49.43 -64.55 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 118.487 -1.285 . . . . 0.0 110.728 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.94 -58.38 7.86 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.73 -62.52 1.59 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.711 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.4 OUTLIER -46.21 -36.66 6.27 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.366 -0.933 . . . . 0.0 112.064 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.16 -57.81 3.54 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 118.402 -1.319 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -8.14 2.16 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.69 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' S' ' 66' ' ' MET . . . -89.98 24.91 13.35 Favored Glycine 0 N--CA 1.491 2.31 0 C-N-CA 119.406 -1.378 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.74 13.88 0.24 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.375 -0.93 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . 0.474 ' H ' ' C ' ' S' ' 64' ' ' GLY . 29.9 mtt -105.24 -66.56 0.97 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -133.19 85.01 2.18 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -55.82 -34.77 65.66 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -77.09 22.51 0.2 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.413 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -145.11 -62.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.89 51.79 0.98 Allowed 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -170.81 -34.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.409 -0.916 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -96.83 -35.1 11.05 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -95.7 -99.51 0.17 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.97 -85.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.71 15.57 27.0 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.396 -1.383 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . 46.42 55.94 6.91 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.352 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.14 79.44 1.42 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.617 HG23 ' N ' ' S' ' 80' ' ' ALA . 8.6 tp -40.14 -43.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . 0.617 ' N ' HG23 ' S' ' 79' ' ' ILE . . . 41.12 -126.89 0.51 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . 0.425 ' C ' ' H ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -127.13 24.53 6.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.742 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.41 HG21 HD13 ' S' ' 82' ' ' ILE . 11.0 pt -66.91 4.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.828 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.425 ' H ' ' C ' ' S' ' 81' ' ' THR . 0.7 OUTLIER -100.97 15.99 26.78 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.7 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' R' ' 41' ' ' LEU . 29.6 ttt180 -48.09 -70.83 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 118.666 -1.213 . . . . 0.0 109.892 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.55 152.72 47.47 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 119.474 -1.346 . . . . 0.0 110.159 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.06 -69.21 0.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.296 -0.962 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.25 12.22 2.81 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.703 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.31 135.39 50.49 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.23 -6.98 57.87 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.748 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -65.47 -8.95 21.77 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.735 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.63 -34.24 15.52 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.478 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.52 142.19 38.37 Favored Pre-proline 0 N--CA 1.486 1.352 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.1 -166.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 120.955 1.104 . . . . 0.0 111.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.82 -26.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.39 -2.62 23.03 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.421 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.83 -56.37 4.74 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.304 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.42 -35.05 26.78 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.189 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -60.82 -53.19 60.37 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' R' ' 29' ' ' ALA . 32.0 t90 -67.97 -55.72 11.68 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.161 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.499 HD11 HG13 ' S' ' 58' ' ' VAL . 2.9 tp -42.33 -32.08 0.47 Allowed 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.741 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.54 -23.12 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.556 -0.858 . . . . 0.0 112.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.0 -26.35 20.38 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.47 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.5 p -89.86 -43.65 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 C-N-CA 118.643 -1.223 . . . . 0.0 113.544 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' S' ' 105' ' ' LEU . 96.4 mt -93.71 -67.11 0.87 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.018 -1.073 . . . . 0.0 112.153 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' S' ' 104' ' ' LEU . 0.2 OUTLIER -39.74 -58.64 1.3 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.595 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -67.47 107.7 2.55 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.303 -1.453 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.736 -179.877 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.68 164.89 14.57 Favored Pre-proline 0 C--N 1.304 -1.373 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.178 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.96 96.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.116 1.211 . . . . 0.0 110.787 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.94 -73.48 0.54 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' R' ' 9' ' ' ALA . 97.1 p -175.32 -48.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . 0.413 ' N ' ' OG ' ' R' ' 8' ' ' SER . . . -46.85 166.88 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.72 -7.72 0.23 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.551 -0.859 . . . . 0.0 110.737 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 12.5 mtt -95.42 121.6 37.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.04 -0.26 57.7 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.189 -1.005 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.29 105.2 15.79 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.533 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.44 -5.97 27.22 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 63.54 21.14 12.61 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.75 22.35 0.33 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.648 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.61 1.77 25.47 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' R' ' 20' ' ' LEU . 23.7 mm-40 -113.79 -41.13 3.63 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.06 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.504 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 42.6 t-105 -44.73 -10.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.426 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' R' ' 18' ' ' GLU . 20.1 mt -113.56 -73.55 0.66 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.678 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -37.57 -49.32 1.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.46 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -75.37 -49.42 19.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.708 HG22 HD21 ' S' ' 51' ' ' LEU . 98.7 t -54.38 -22.81 9.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.69 -36.25 75.8 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.38 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.43 -22.86 62.67 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.366 -0.933 . . . . 0.0 109.307 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 tp -57.63 -50.44 73.15 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.73 -1.188 . . . . 0.0 110.33 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -20.81 64.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.476 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -64.54 -50.06 68.79 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.401 -1.319 . . . . 0.0 109.077 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CZ2' ' S' ' 99' ' ' TRP . . . -59.19 -51.98 67.67 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.735 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -43.07 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 118.448 -1.301 . . . . 0.0 110.438 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' R' ' 30' ' ' TYR . 22.0 tp60 3.82 -67.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.955 2.659 . . . . 0.0 111.41 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.1 m-20 -83.35 -95.56 0.06 Allowed 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 117.653 -1.619 . . . . 0.0 107.161 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.22 23.83 0.55 Allowed 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' S' ' 99' ' ' TRP . 2.9 mm? -88.59 10.06 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.7 p-80 -75.73 -37.75 59.11 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 117.014 -1.874 . . . . 0.0 110.774 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' R' ' 35' ' ' HIS . 3.9 mt -34.4 -59.32 0.58 Allowed Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.45 -81.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 120.521 0.814 . . . . 0.0 112.386 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -52.18 -36.73 52.66 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.283 -1.367 . . . . 0.0 109.678 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 54.6 tp -57.57 -32.77 67.48 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.744 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' R' ' 42' ' ' MET . 5.8 m-20 -81.45 -15.95 53.51 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.083 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.44 -11.06 3.84 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 117.777 -1.569 . . . . 0.0 108.603 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.447 ' N ' ' C ' ' R' ' 40' ' ' ASN . 6.1 mmt -128.77 30.39 5.11 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.452 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.848 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.2 OUTLIER -74.99 5.98 4.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.509 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.438 ' C ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -40.23 160.02 0.13 Allowed Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.521 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -52.43 -67.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.07 1.18 . . . . 0.0 111.613 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' R' ' 46' ' ' ASP . 0.0 OUTLIER -44.96 -36.2 3.26 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.393 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.62 -31.81 47.15 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.505 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -68.71 -61.55 1.76 Allowed 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.49 -3.19 1.31 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.821 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.52 -46.41 6.99 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.247 -0.981 . . . . 0.0 111.18 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.48 -57.5 3.06 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' R' ' 54' ' ' ARG . . . -51.62 -77.23 0.14 Allowed Glycine 0 N--CA 1.492 2.393 0 C-N-CA 119.981 -1.104 . . . . 0.0 112.185 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.09 -20.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 120.181 -0.607 . . . . 0.0 112.469 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' R' ' 52' ' ' GLY . 0.3 OUTLIER -79.55 -72.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.837 -1.145 . . . . 0.0 111.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -14.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 118.317 -1.353 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' R' ' 54' ' ' ARG . 1.2 mmm-85 -71.35 -39.28 71.4 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.743 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 2.9 pt -58.97 -53.6 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 118.744 -1.182 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' R' ' 100' ' ' LEU . 4.9 m -53.42 -45.1 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 118.341 -1.343 . . . . 0.0 109.934 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -66.65 0.43 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.186 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.48 -15.53 38.55 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.804 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.07 -28.4 43.11 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.512 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 tp -50.22 -48.03 54.61 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.678 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -77.35 -3.16 38.69 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.441 -0.904 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.26 22.35 4.54 Favored Glycine 0 N--CA 1.49 2.296 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -56.24 -29.43 61.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 3.5 mmt -100.32 -90.33 0.32 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.22 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 10.7 t 55.85 51.87 11.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -76.75 -39.21 52.45 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.901 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -89.4 -89.94 0.14 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 118.942 -1.103 . . . . 0.0 111.544 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -165.96 91.69 0.48 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mt -111.01 13.53 22.02 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -112.35 -2.53 14.76 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.0 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -64.39 -85.42 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -149.98 77.09 1.31 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 27.4 tp -58.38 -29.92 66.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.634 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.25 41.18 7.11 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.295 -1.431 . . . . 0.0 109.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.68 40.46 0.39 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.628 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.29 8.6 58.63 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.479 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.654 HD12 ' N ' ' R' ' 79' ' ' ILE . 1.7 mp -89.27 -0.38 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.733 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.89 0.62 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.721 -0.792 . . . . 0.0 112.071 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 26.6 p -130.53 -46.12 1.08 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 119.606 -0.838 . . . . 0.0 112.029 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.407 ' C ' ' N ' ' R' ' 84' ' ' ARG . 2.2 pp -72.78 -1.61 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 119.434 -0.906 . . . . 0.0 112.224 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -25.22 0.17 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' R' ' 82' ' ' ILE . 13.1 ttt180 -54.05 -85.43 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.865 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.09 59.3 6.39 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 119.668 -1.253 . . . . 0.0 111.316 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -48.59 150.86 1.26 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.972 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -150.23 18.37 0.85 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.815 -1.154 . . . . 0.0 111.664 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 13.2 m -50.0 119.98 4.03 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.159 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -8.1 20.21 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.678 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -81.63 16.16 1.86 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.172 -1.011 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.55 6.55 2.99 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 40.99 61.88 6.95 Favored Pre-proline 0 N--CA 1.489 1.499 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.794 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' R' ' 95' ' ' GLU . 1.1 Cg_endo -62.99 -18.1 63.53 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.428 1.418 . . . . 0.0 110.885 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.433 ' C ' ' H ' ' R' ' 96' ' ' LEU . 60.5 t -48.49 -13.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' R' ' 93' ' ' PRO . 2.3 mm-40 -69.91 3.99 2.31 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.882 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.744 HD11 HD13 ' R' ' 100' ' ' LEU . 17.1 tp -97.62 -56.66 2.45 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -22.6 0.08 Allowed 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' R' ' 96' ' ' LEU . 18.9 mt-30 -52.81 -55.14 25.18 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.562 ' CZ3' HG11 ' R' ' 103' ' ' VAL . 57.8 t90 -87.61 -54.19 4.4 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.744 HD13 HD11 ' R' ' 96' ' ' LEU . 2.9 tp -35.38 -38.13 0.1 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.036 -0.984 . . . . 0.0 113.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -74.13 -29.99 62.08 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.134 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.9 mm-40 -84.87 -18.18 35.63 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.628 -0.829 . . . . 0.0 113.073 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.562 HG11 ' CZ3' ' R' ' 99' ' ' TRP . 1.5 p -96.42 -30.31 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.866 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' R' ' 106' ' ' LYS . 4.5 mt -105.8 -51.89 2.91 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.325 -0.95 . . . . 0.0 112.163 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.67 23.52 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' R' ' 104' ' ' LEU . 8.5 tttm -60.91 104.99 0.41 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.457 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.419 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.02 153.03 0.12 Allowed Pre-proline 0 N--CA 1.488 1.447 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.653 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -63.36 163.71 22.67 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 121.358 1.372 . . . . 0.0 112.036 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -173.87 0.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.779 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -112.99 -164.52 0.92 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.717 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.9 -164.9 1.01 Allowed 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.469 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.03 60.6 1.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 31.6 mmm -62.52 106.84 0.83 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.66 105.7 0.06 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.225 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.41 125.93 30.05 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.369 -0.933 . . . . 0.0 110.691 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.96 -117.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.582 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.0 105.22 3.64 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.168 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -121.0 25.59 9.55 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.862 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -72.23 -40.78 67.5 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 118.69 -1.204 . . . . 0.0 109.408 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' S' ' 20' ' ' LEU . 18.7 mt-10 -75.22 -51.53 13.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.217 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.462 ' O ' ' CG2' ' S' ' 23' ' ' VAL . 72.9 t-105 -35.77 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' S' ' 18' ' ' GLU . 12.5 mt -108.32 -67.95 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.65 -0.82 . . . . 0.0 112.16 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' S' ' 20' ' ' LEU . 18.3 mtp85 -32.24 -47.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.453 ' C ' ' N ' ' S' ' 24' ' ' ASP . 49.9 m-85 -89.7 -40.54 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.427 -1.309 . . . . 0.0 111.626 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' S' ' 19' ' ' TRP . 72.4 t -56.51 -12.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 C-N-CA 117.933 -1.507 . . . . 0.0 108.61 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' S' ' 22' ' ' PHE . 11.6 t0 -71.94 -32.79 67.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.336 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.45 -29.05 41.63 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.555 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 tp -51.25 -47.0 62.55 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' S' ' 27' ' ' LYS . 2.8 mtmt -63.63 -50.87 67.65 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.599 -0.841 . . . . 0.0 110.686 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' S' ' 32' ' ' ASN . 1.4 m120 -42.16 -40.6 2.39 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.037 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.547 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -70.65 -49.36 48.21 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.066 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' S' ' 33' ' ' ASP . 3.9 m-85 -44.42 -83.22 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 118.894 -1.123 . . . . 0.0 109.788 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.562 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.6 tp-100 -16.6 -64.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 O-C-N 125.612 1.82 . . . . 0.0 112.498 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' S' ' 34' ' ' LEU . 2.5 m120 -73.2 32.92 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.267 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.729 ' N ' ' O ' ' S' ' 30' ' ' TYR . 7.3 t0 30.7 28.33 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.177 0.923 . . . . 0.0 112.187 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' S' ' 32' ' ' ASN . 4.0 mt -94.9 14.83 20.3 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 118.791 -1.164 . . . . 0.0 110.048 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.46 ' CD2' HD22 ' S' ' 36' ' ' LEU . 30.0 p-80 -70.32 -37.5 74.73 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.441 -1.304 . . . . 0.0 112.018 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' S' ' 35' ' ' HIS . 2.1 mm? -30.93 -61.12 0.27 Allowed Pre-proline 0 N--CA 1.505 2.289 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -60.77 -78.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.115 1.21 . . . . 0.0 113.537 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' S' ' 39' ' ' LEU . 0.6 OUTLIER -46.25 -43.26 15.39 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.203 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.481 HD23 ' N ' ' S' ' 40' ' ' ASN . 0.6 OUTLIER -41.8 -71.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.626 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . 0.481 ' N ' HD23 ' S' ' 39' ' ' LEU . 7.1 t-20 -36.87 -56.51 0.86 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.327 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.97 -21.6 66.22 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.601 -0.84 . . . . 0.0 113.061 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . 0.441 ' SD ' HG11 ' R' ' 58' ' ' VAL . 36.3 mtp -99.27 -58.5 1.92 Allowed 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.274 -0.97 . . . . 0.0 113.424 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.57 17.12 18.46 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.45 ' OG1' ' OD1' ' S' ' 40' ' ' ASN . 0.8 OUTLIER -44.84 -50.38 25.53 Favored Pre-proline 0 N--CA 1.493 1.701 0 C-N-CA 118.204 -1.398 . . . . 0.0 112.435 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' S' ' 47' ' ' GLU . 5.2 Cg_endo -71.83 -60.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 120.463 0.775 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 2.8 m-20 -56.81 -5.48 0.24 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' S' ' 45' ' ' PRO . 0.2 OUTLIER -62.16 -69.22 0.26 Allowed 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.068 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -75.72 -20.17 58.55 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.45 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.03 -37.86 15.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.206 -0.998 . . . . 0.0 113.531 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -105.2 -30.37 9.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.708 HD21 HG22 ' R' ' 23' ' ' VAL . 0.2 OUTLIER -69.89 -74.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.347 -1.341 . . . . 0.0 112.042 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' S' ' 51' ' ' LEU . . . -37.13 -41.97 0.74 Allowed Glycine 0 N--CA 1.49 2.256 0 C-N-CA 120.26 -0.971 . . . . 0.0 111.526 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -67.88 -56.2 10.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.577 ' HA ' HD11 ' S' ' 57' ' ' ILE . 4.1 ttp180 -53.59 -18.9 3.27 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 t -82.61 -34.62 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -63.76 1.13 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.19 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' S' ' 54' ' ' ARG . 0.4 OUTLIER -43.9 -77.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.16 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' S' ' 57' ' ' ILE . 98.7 t -36.22 -71.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.958 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' S' ' 58' ' ' VAL . 22.1 tt0 -37.17 -37.04 0.15 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.568 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.33 -44.86 74.42 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' S' ' 58' ' ' VAL . 6.5 mt -62.22 -27.67 69.16 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.85 -64.23 0.79 Allowed 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -95.19 15.76 18.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' S' ' 66' ' ' MET . . . -92.26 -91.26 1.46 Allowed Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.261 -1.447 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 42.75 17.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.308 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . 0.538 ' N ' ' O ' ' S' ' 64' ' ' GLY . 7.2 ttt -127.18 -46.21 1.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m 46.04 81.93 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.691 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -53.71 -76.69 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.953 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -131.32 -94.53 0.37 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.419 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -100.81 56.76 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.819 -0.753 . . . . 0.0 112.052 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.35 -66.15 0.92 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.502 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -0.01 39.99 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.478 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . 0.486 HD22 ' N ' ' S' ' 73' ' ' ASN . 1.6 m-80 -83.37 -61.77 1.76 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -128.59 49.32 2.21 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.652 ' O ' HD12 ' S' ' 75' ' ' LEU . 0.7 OUTLIER -47.85 -50.44 26.32 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.894 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . 0.579 ' H ' HD11 ' S' ' 79' ' ' ILE . . . 114.68 100.43 2.33 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . 56.94 59.31 3.53 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . 0.782 ' H ' HD12 ' S' ' 79' ' ' ILE . . . -178.57 22.73 0.05 OUTLIER Glycine 0 N--CA 1.49 2.245 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.211 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.782 HD12 ' H ' ' S' ' 78' ' ' GLY . 1.1 mp -118.4 28.07 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.799 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.88 -2.15 58.37 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.0 -13.97 6.17 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.599 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.423 HG21 HD13 ' S' ' 82' ' ' ILE . 2.6 mt -93.92 -77.1 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.416 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -94.99 26.4 3.66 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -36.54 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.015 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.6 141.6 21.26 Favored Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.123 -1.513 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.516 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -50.06 143.33 8.22 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' S' ' 92' ' ' ALA . 0.1 OUTLIER -174.02 9.6 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.16 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.641 ' H ' HD23 ' S' ' 89' ' ' LEU . 0.1 OUTLIER -72.1 -31.25 65.88 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.104 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -89.8 -8.51 51.96 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.87 59.6 0.67 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' S' ' 93' ' ' PRO . . . -87.1 162.19 44.38 Favored Pre-proline 0 C--N 1.306 -1.304 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' S' ' 92' ' ' ALA . 1.3 Cg_endo -61.43 -14.66 36.18 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.682 1.588 . . . . 0.0 111.481 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -12.58 6.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 C-N-CA 118.729 -1.188 . . . . 0.0 109.082 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.32 -9.44 23.56 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.387 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.52 HD11 HD13 ' S' ' 100' ' ' LEU . 20.5 tp -89.43 -48.07 7.58 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -25.66 0.61 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.097 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' S' ' 96' ' ' LEU . 11.2 mm100 -46.44 -57.34 4.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.743 ' HB2' HD12 ' R' ' 34' ' ' LEU . 45.6 t90 -89.66 -56.33 3.29 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.384 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.52 HD13 HD11 ' S' ' 96' ' ' LEU . 1.8 tp -33.39 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.859 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' S' ' 99' ' ' TRP . 7.5 tt0 -82.07 -35.93 28.18 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' S' ' 99' ' ' TRP . 31.6 mt-10 -74.16 -10.97 60.14 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.149 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.418 HG11 ' CZ3' ' S' ' 99' ' ' TRP . 1.2 p -108.05 -40.52 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 C-N-CA 119.159 -1.016 . . . . 0.0 113.301 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -81.67 -51.46 8.18 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.654 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . 0.433 ' N ' HD12 ' S' ' 105' ' ' LEU . 8.2 mp -69.92 -83.09 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.622 -1.231 . . . . 0.0 111.595 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -132.04 -170.99 2.52 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 116.244 -1.836 . . . . 0.0 110.993 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 157.14 76.6 Favored Pre-proline 0 N--CA 1.491 1.623 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.545 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -64.93 -7.54 15.45 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 121.526 1.484 . . . . 0.0 112.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -104.85 -80.62 0.54 Allowed 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.736 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -69.92 -171.13 0.39 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.605 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.06 -112.03 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.58 -96.51 0.08 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.84 115.04 0.74 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.802 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.21 -34.26 11.17 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.531 -0.867 . . . . 0.0 111.414 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -154.91 -15.49 0.12 Allowed 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.926 -1.11 . . . . 0.0 111.689 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.06 109.72 2.25 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.4 -61.81 0.18 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.22 24.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -83.43 -67.64 0.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.567 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -26.92 65.41 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.497 ' O ' HG22 ' R' ' 23' ' ' VAL . 77.3 t-105 -49.53 -48.45 48.22 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.232 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.97 -50.41 10.46 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -51.19 -38.47 52.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' R' ' 24' ' ' ASP . 40.2 t80 -75.09 -71.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.306 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.497 HG22 ' O ' ' R' ' 19' ' ' TRP . 27.2 m -42.77 -21.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' R' ' 22' ' ' PHE . 0.5 OUTLIER -68.39 -45.45 72.69 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.816 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.4 -30.17 69.02 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.321 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.54 -52.92 62.11 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.336 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -52.68 -58.4 6.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . 0.512 HD22 ' N ' ' R' ' 28' ' ' ASN . 1.1 m-80 -38.43 -55.23 1.41 Allowed 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.053 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.46 75.73 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 118.96 -1.096 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.619 ' O ' ' N ' ' R' ' 32' ' ' ASN . 1.5 m-85 -45.69 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.513 -1.275 . . . . 0.0 110.04 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' R' ' 30' ' ' TYR . 4.3 tt0 5.1 -69.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 127.149 2.781 . . . . 0.0 111.294 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.7 m-20 -81.92 -96.83 0.04 OUTLIER 'General case' 0 C--N 1.274 -2.696 0 C-N-CA 117.917 -1.513 . . . . 0.0 107.72 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.34 26.58 0.52 Allowed 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 8.14 31.46 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 15.8 p-80 -70.03 -43.72 70.73 Favored 'General case' 0 C--N 1.292 -1.899 0 C-N-CA 117.731 -1.588 . . . . 0.0 112.036 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.46 -57.59 1.83 Allowed Pre-proline 0 N--CA 1.502 2.145 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.59 -73.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 120.612 0.875 . . . . 0.0 113.296 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.419 ' HB3' HD21 ' S' ' 96' ' ' LEU . 0.3 OUTLIER -59.21 -36.54 75.57 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.102 -1.439 . . . . 0.0 109.869 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 57.1 tp -57.5 -36.22 71.23 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.86 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.498 HD22 ' CD1' ' R' ' 43' ' ' LEU . 0.1 OUTLIER -63.15 -34.3 77.33 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.866 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.495 HD23 HD12 ' S' ' 96' ' ' LEU . 0.2 OUTLIER -48.64 -33.24 9.56 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 118.665 -1.214 . . . . 0.0 108.617 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.427 ' HG2' ' HE ' ' S' ' 54' ' ' ARG . 0.2 OUTLIER -83.86 28.85 0.57 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.079 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.498 ' CD1' HD22 ' R' ' 40' ' ' ASN . 1.2 mt -67.87 -0.76 4.56 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.509 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.403 HG23 ' H ' ' R' ' 46' ' ' ASP . 0.3 OUTLIER -47.94 148.78 2.69 Favored Pre-proline 0 C--N 1.301 -1.512 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.017 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -55.82 -44.78 44.3 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 120.726 0.95 . . . . 0.0 111.342 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . 0.403 ' H ' HG23 ' R' ' 44' ' ' THR . 3.7 t70 -65.35 3.57 0.64 Allowed 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.17 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -114.79 -48.56 2.84 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -70.7 -51.92 24.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' R' ' 53' ' ' THR . 0.5 OUTLIER -63.46 -7.42 6.72 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.042 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.51 -28.4 11.78 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.444 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.457 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 6.1 tt -64.26 -53.1 54.43 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.96 -38.87 90.67 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.33 -1.414 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.3 OUTLIER -63.96 -33.79 76.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.005 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.7 -22.97 61.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.61 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.44 -27.23 7.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' R' ' 57' ' ' ILE . 4.8 mtm180 -63.49 -56.6 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.556 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -41.78 -76.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.236 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' R' ' 57' ' ' ILE . 73.3 t -34.7 -63.64 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.33 -44.14 23.43 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.829 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 62' ' ' LEU . 32.3 tt0 -69.05 -55.42 10.84 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.77 -19.85 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' R' ' 64' ' ' GLY . 5.9 tp -42.36 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.691 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.62 13.59 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.401 -0.919 . . . . 0.0 111.631 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -84.97 -16.25 65.6 Favored Glycine 0 N--CA 1.488 2.122 0 C-N-CA 119.505 -1.331 . . . . 0.0 110.185 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.82 -44.5 77.1 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 7.1 ttm -95.5 -59.88 1.78 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.194 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.19 92.94 5.14 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.706 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.33 -63.7 1.22 Allowed 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -59.32 -1.07 0.18 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.608 -0.837 . . . . 0.0 112.715 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' R' ' 70' ' ' GLU . 1.7 mm-40 -96.56 5.82 50.0 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.924 -1.11 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.54 159.01 34.14 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt 57.67 64.09 1.65 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -94.78 18.65 11.32 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 51.12 70.83 0.49 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tp -83.38 -38.8 21.51 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.05 43.78 0.05 OUTLIER Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.092 -1.528 . . . . 0.0 110.732 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.96 -22.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.41 -126.22 7.5 Favored Glycine 0 N--CA 1.489 2.196 0 C-N-CA 119.2 -1.476 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.422 HD13 HG21 ' R' ' 79' ' ' ILE . 11.3 mt -87.26 -37.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.006 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' R' ' 79' ' ' ILE . . . 40.91 -102.38 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -126.84 3.66 6.64 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.442 HD13 HG21 ' R' ' 82' ' ' ILE . 6.2 mt -57.06 -68.12 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.249 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 84.9 m -72.33 -70.69 0.33 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.663 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -52.77 -94.36 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.55 -103.87 0.82 Allowed Glycine 0 N--CA 1.49 2.3 0 C-N-CA 119.382 -1.39 . . . . 0.0 110.502 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 80.6 p -160.78 79.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 48.85 74.37 0.18 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . 0.515 ' C ' ' H ' ' R' ' 90' ' ' LYS . 2.6 p -79.13 -87.4 0.06 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.432 ' H ' HD23 ' R' ' 89' ' ' LEU . 0.5 OUTLIER -52.63 -6.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.041 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' R' ' 88' ' ' SER . 51.0 mttm -93.59 13.02 23.29 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.43 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' R' ' 92' ' ' ALA . . . -125.95 -81.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.31 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' R' ' 91' ' ' ALA . . . 170.91 78.16 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.539 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -71.27 -10.86 27.92 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 121.525 1.483 . . . . 0.0 111.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -13.59 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 118.843 -1.143 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -85.03 -8.54 58.66 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.548 HD11 HD13 ' R' ' 100' ' ' LEU . 21.7 tp -96.4 -41.24 8.71 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 8.1 mtp-105 -52.8 -21.07 3.73 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -59.92 -66.1 0.57 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.457 ' O ' ' N ' ' R' ' 102' ' ' GLU . 27.5 t90 -72.06 -58.33 3.53 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.55 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.548 HD13 HD11 ' R' ' 96' ' ' LEU . 1.5 tp -38.61 -31.71 0.06 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.38 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.79 -34.65 74.01 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 118.663 -1.215 . . . . 0.0 110.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 99' ' ' TRP . 33.2 mt-10 -79.25 -19.13 51.39 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.442 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.2 p -99.66 -26.58 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 119.085 -1.046 . . . . 0.0 113.365 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.8 -32.23 9.43 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.87 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 -70.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.651 -1.22 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -90.71 113.19 25.22 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.049 -1.06 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 116.259 -1.829 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.95 155.67 30.5 Favored Pre-proline 0 N--CA 1.487 1.414 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.292 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.12 105.22 0.14 Allowed 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.088 1.192 . . . . 0.0 111.357 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . 0.581 ' CD2' ' N ' ' S' ' 8' ' ' SER . 4.3 p90 -100.89 -159.9 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . 0.581 ' N ' ' CD2' ' S' ' 7' ' ' TYR . 1.2 p 70.73 120.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.57 -75.16 0.56 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.4 -1.35 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.585 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 9.4 ttp -45.93 -71.98 0.06 Allowed 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . 57.4 171.76 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.82 132.35 52.89 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.778 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.62 163.02 0.49 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -73.38 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 46.22 71.1 0.32 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -120.28 -37.26 3.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.99 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' S' ' 20' ' ' LEU . 8.1 pt-20 -102.32 -28.54 12.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.13 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.457 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 57.9 t-105 -45.1 -16.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.257 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' S' ' 18' ' ' GLU . 24.7 mt -114.11 -57.22 2.3 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.566 -0.853 . . . . 0.0 112.237 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -31.54 8.46 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' S' ' 25' ' ' LEU . 1.3 m-85 -93.97 -53.75 3.86 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.62 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -46.23 -31.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.08 -38.38 82.72 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.266 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' S' ' 22' ' ' PHE . 68.0 mt -69.87 -33.48 72.3 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.06 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.52 -34.64 67.22 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.275 -1.37 . . . . 0.0 108.333 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -22.89 59.89 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.95 -49.9 40.49 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.44 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -60.89 -43.3 98.67 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.299 -0.96 . . . . 0.0 109.173 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.725 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.5 OUTLIER -44.22 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.474 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.3 tp60 -15.12 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 125.085 1.49 . . . . 0.0 113.296 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' S' ' 34' ' ' LEU . 3.7 m-80 -78.04 35.1 0.2 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.725 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.8 OUTLIER 32.35 28.6 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.132 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.0 OUTLIER -93.66 16.88 12.81 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.393 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -89.55 -27.15 20.46 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 118.956 -1.097 . . . . 0.0 112.348 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -44.51 -50.96 22.05 Favored Pre-proline 0 N--CA 1.491 1.599 0 C-N-CA 118.502 -1.279 . . . . 0.0 112.754 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -57.03 -65.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 120.074 0.516 . . . . 0.0 111.566 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.605 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -53.44 -34.87 59.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.087 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -55.39 -61.0 2.63 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.57 -39.31 0.71 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.688 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -43.49 -67.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.92 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 8.3 ttt -91.93 46.25 1.26 Allowed 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.825 -1.15 . . . . 0.0 113.298 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.8 OUTLIER -60.33 -57.32 13.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.312 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.1 OUTLIER 51.69 154.62 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.068 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -67.44 -35.97 21.7 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.325 1.35 . . . . 0.0 111.251 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.33 -71.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.879 -0.729 . . . . 0.0 111.48 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' HG1' ' S' ' 44' ' ' THR . 1.9 mm-40 -40.88 -41.68 1.65 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.243 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -64.98 -60.98 2.44 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.24 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -70.64 5.43 1.88 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' S' ' 51' ' ' LEU . . . -109.92 -42.96 4.09 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.768 -0.773 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' S' ' 50' ' ' ALA . 6.3 tt -42.69 -50.6 5.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . 0.656 ' O ' HG12 ' S' ' 55' ' ' VAL . . . -55.67 -56.95 21.14 Favored Glycine 0 N--CA 1.483 1.8 0 C-N-CA 119.274 -1.441 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . 0.477 ' C ' ' O ' ' S' ' 52' ' ' GLY . 2.1 m -36.53 -30.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.057 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' S' ' 52' ' ' GLY . 2.3 mtp85 -82.61 -42.79 17.78 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.568 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.656 HG12 ' O ' ' S' ' 52' ' ' GLY . 4.7 p -51.36 -17.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 118.128 -1.429 . . . . 0.0 110.124 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' S' ' 54' ' ' ARG . 0.6 OUTLIER -65.26 -60.66 2.75 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.237 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.47 HD11 ' NH2' ' S' ' 54' ' ' ARG . 0.5 OUTLIER -49.96 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 118.771 -1.171 . . . . 0.0 111.571 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' S' ' 57' ' ' ILE . 67.9 t -36.72 -52.85 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.235 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' S' ' 62' ' ' LEU . 3.9 tm-20 -58.4 -60.1 4.31 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.412 -0.915 . . . . 0.0 111.855 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' S' ' 60' ' ' GLU . 0.5 OUTLIER -38.69 -34.09 0.13 Allowed 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.382 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mt -75.19 -37.58 61.13 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.027 -1.069 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' S' ' 59' ' ' GLU . 4.4 tt -48.39 -50.39 30.98 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -84.34 0.96 47.21 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.631 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.13 23.17 37.25 Favored Glycine 0 N--CA 1.488 2.143 0 C-N-CA 119.735 -1.222 . . . . 0.0 110.13 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.47 -18.74 60.39 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.338 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.65 5.9 27.3 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.488 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -87.61 91.94 8.92 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.36 -73.1 0.45 Allowed 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.44 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -83.84 -11.29 57.21 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.206 -0.997 . . . . 0.0 110.052 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -101.76 52.25 0.83 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -44.6 64.19 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.585 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.98 9.32 20.46 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.734 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.87 9.08 31.78 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' S' ' 75' ' ' LEU . 7.6 mm-40 -92.41 54.64 2.34 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' S' ' 74' ' ' GLU . 2.7 mt -34.96 -89.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.394 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' S' ' 77' ' ' ALA . . . 45.85 22.87 0.87 Allowed Glycine 0 N--CA 1.492 2.389 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' S' ' 76' ' ' GLY . . . 71.0 112.31 0.06 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.91 2.92 0.61 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 119.438 -1.363 . . . . 0.0 110.759 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 tp -70.37 -9.41 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.83 -42.41 60.92 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.487 -0.885 . . . . 0.0 111.674 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -20.9 63.58 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.621 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 mt -93.4 -32.35 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -71.12 0.07 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.485 -0.886 . . . . 0.0 111.429 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -71.69 0.21 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.45 -102.14 0.15 Allowed Glycine 0 N--CA 1.489 2.224 0 C-N-CA 119.384 -1.389 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.42 23.86 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.441 -0.904 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.08 116.14 0.86 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . 0.585 ' HB3' ' HB3' ' S' ' 91' ' ' ALA . 3.2 t -152.99 -176.37 5.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.137 -1.025 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.77 -70.45 0.24 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -92.27 -23.86 19.17 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.794 -0.762 . . . . 0.0 112.532 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' S' ' 88' ' ' SER . . . -78.5 40.02 0.35 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.771 -1.171 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' S' ' 94' ' ' VAL . . . -76.5 148.73 80.53 Favored Pre-proline 0 C--N 1.305 -1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.976 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.472 ' C ' ' N ' ' S' ' 95' ' ' GLU . 2.2 Cg_endo -61.91 -0.89 1.83 Allowed 'Trans proline' 0 C--O 1.213 -0.753 0 C-N-CA 121.474 1.449 . . . . 0.0 111.005 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' S' ' 92' ' ' ALA . 43.2 t -53.4 -16.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.822 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . 0.472 ' N ' ' C ' ' S' ' 93' ' ' PRO . 25.7 mt-10 -86.23 -23.89 26.25 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.335 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.552 HD22 HD13 ' S' ' 100' ' ' LEU . 0.5 OUTLIER -73.83 -43.28 59.23 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.489 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -30.11 33.33 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -47.19 -63.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.431 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' S' ' 100' ' ' LEU . 48.9 t90 -82.36 -57.43 3.37 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.132 -1.027 . . . . 0.0 112.592 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.552 HD13 HD22 ' S' ' 96' ' ' LEU . 1.8 tp -31.64 -53.08 0.24 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.103 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.78 -40.05 69.02 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.456 -0.898 . . . . 0.0 112.135 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' S' ' 99' ' ' TRP . 23.0 mt-10 -65.08 -35.9 82.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.1 p -102.4 -30.42 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' S' ' 106' ' ' LYS . 0.4 OUTLIER -84.91 -65.62 0.99 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.834 -1.147 . . . . 0.0 111.932 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' S' ' 105' ' ' LEU . 2.6 mm? -53.98 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.246 -0.981 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' S' ' 104' ' ' LEU . 11.3 tptp -69.88 104.9 2.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.483 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 116.329 -1.796 . . . . 0.0 110.929 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.209 0.528 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.39 163.97 22.4 Favored Pre-proline 0 C--N 1.303 -1.453 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.776 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . 0.533 ' O ' ' CG ' ' R' ' 7' ' ' TYR . 13.2 Cg_exo -48.8 -61.73 0.54 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.17 1.247 . . . . 0.0 111.78 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' R' ' 6' ' ' PRO . 54.9 m-85 -159.69 91.94 1.01 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.653 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.68 137.16 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.67 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.42 -5.44 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.76 128.65 46.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.01 20.52 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.67 122.36 3.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.25 178.3 2.9 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.727 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . 0.672 ' NE2' HH12 ' R' ' 15' ' ' ARG . 21.3 mt-30 -78.39 -79.79 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.212 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . 0.672 HH12 ' NE2' ' R' ' 14' ' ' GLN . 0.6 OUTLIER -60.35 96.66 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.903 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.58 -46.33 0.06 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.628 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.47 -10.52 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.176 -1.009 . . . . 0.0 110.675 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' R' ' 20' ' ' LEU . 0.2 OUTLIER -104.24 -36.24 7.71 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.984 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.467 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 25.6 t-105 -47.29 -12.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.286 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' R' ' 18' ' ' GLU . 15.9 mt -113.51 -58.96 2.08 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.705 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -49.67 -53.32 25.15 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.7 ' CD1' HG13 ' S' ' 55' ' ' VAL . 1.2 t80 -67.68 -52.79 33.81 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -51.59 -22.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 C-N-CA 118.367 -1.333 . . . . 0.0 110.709 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -25.02 55.41 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.731 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.93 -21.71 37.13 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.168 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.05 39.79 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.322 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . 0.444 ' HZ3' ' HB2' ' R' ' 27' ' ' LYS . 0.0 OUTLIER -61.19 -29.93 70.11 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.087 -1.045 . . . . 0.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -56.49 -59.51 4.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.968 -1.493 . . . . 0.0 109.651 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.547 ' CB ' HD21 ' R' ' 38' ' ' LEU . . . -49.45 -52.24 30.37 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 118.365 -1.334 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.6 m-85 -45.38 -68.73 0.17 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.325 -1.35 . . . . 0.0 109.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' R' ' 30' ' ' TYR . 13.1 tt0 7.57 -69.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 126.898 2.624 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.663 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.9 OUTLIER -91.2 -93.35 0.14 Allowed 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 117.871 -1.531 . . . . 0.0 107.018 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 91.4 m-20 -148.88 26.65 0.9 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.555 ' H ' HD22 ' R' ' 34' ' ' LEU . 0.5 OUTLIER -87.12 4.68 41.26 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.198 -1.801 . . . . 0.0 114.428 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.45 ' ND1' ' N ' ' R' ' 35' ' ' HIS . 2.4 p-80 -67.18 -54.3 22.42 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 117.21 -1.796 . . . . 0.0 111.841 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' R' ' 35' ' ' HIS . 1.5 mm? -27.87 -62.04 0.19 Allowed Pre-proline 0 N--CA 1.502 2.171 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.7 Cg_endo -52.61 -85.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.981 0 C-N-CA 120.646 0.897 . . . . 0.0 113.152 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' R' ' 29' ' ' ALA . 2.4 pp -52.42 -39.2 60.69 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.309 -1.356 . . . . 0.0 111.173 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 29.3 tp -41.11 -42.06 1.91 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.652 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' R' ' 42' ' ' MET . 0.6 OUTLIER -66.08 -44.09 85.46 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.552 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' R' ' 38' ' ' LEU . 6.8 tp -60.93 -0.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.449 ' H ' ' C ' ' R' ' 40' ' ' ASN . 18.9 ttt -105.55 -44.95 4.56 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.771 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.587 ' C ' HG23 ' R' ' 44' ' ' THR . 7.1 mt -100.1 -28.38 13.07 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.737 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.587 HG23 ' C ' ' R' ' 43' ' ' LEU . 0.1 OUTLIER 53.18 178.46 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.603 0 C-N-CA 118.48 -1.288 . . . . 0.0 108.195 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -66.22 -51.33 1.15 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.014 1.142 . . . . 0.0 113.415 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -42.37 -59.55 1.8 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.562 -0.855 . . . . 0.0 112.23 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 20.0 mt-10 -78.37 -19.44 53.38 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.355 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' R' ' 50' ' ' ALA . 10.7 ttt180 -53.01 -49.53 66.04 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -14.89 1.96 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.385 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' R' ' 47' ' ' GLU . . . -85.53 -39.93 16.88 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' R' ' 50' ' ' ALA . 3.7 tt -45.78 -53.55 9.39 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.33 -57.73 6.25 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 12.9 m -58.26 -16.43 13.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . 0.457 ' NH2' ' OG1' ' S' ' 44' ' ' THR . 0.0 OUTLIER -84.76 -63.18 1.38 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.507 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.711 HG23 ' CD2' ' S' ' 22' ' ' PHE . 1.5 p -45.27 -25.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 118.959 -1.097 . . . . 0.0 109.5 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' R' ' 54' ' ' ARG . 16.5 ttm180 -60.9 -60.22 4.13 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.054 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' S' ' 42' ' ' MET . 0.9 OUTLIER -44.55 -57.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.757 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.873 HG13 HD11 ' R' ' 100' ' ' LEU . 76.5 t -48.93 -60.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.373 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.12 -42.09 6.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' R' ' 62' ' ' LEU . 0.0 OUTLIER -77.28 -45.68 25.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.964 -1.095 . . . . 0.0 111.582 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' R' ' 62' ' ' LEU . 20.3 mt -54.36 -11.45 0.52 Allowed 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' R' ' 61' ' ' LEU . 10.8 tp -19.38 -80.49 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 124.161 0.913 . . . . 0.0 111.779 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -75.07 -91.35 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.82 -94.83 1.04 Allowed Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.934 -1.127 . . . . 0.0 110.451 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.61 -49.6 0.98 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.622 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -15.98 58.7 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.486 -0.886 . . . . 0.0 110.525 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 6.8 m 53.3 -161.38 0.12 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.12 -67.13 0.4 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -115.81 -76.5 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.609 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' R' ' 72' ' ' LYS . 6.1 pt-20 -166.23 49.72 0.08 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.122 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.16 39.55 0.19 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' R' ' 70' ' ' GLU . 12.7 ptmt -143.39 7.28 1.53 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -128.37 -13.93 4.85 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' R' ' 76' ' ' GLY . 3.0 mm-40 -107.13 -84.33 0.52 Allowed 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.332 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.41 12.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.211 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' R' ' 74' ' ' GLU . . . 178.42 90.98 0.08 OUTLIER Glycine 0 N--CA 1.488 2.163 0 C-N-CA 118.608 -1.758 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.74 150.52 21.07 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.359 -0.937 . . . . 0.0 109.958 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.62 94.82 2.24 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.429 ' O ' HG23 ' R' ' 79' ' ' ILE . 1.5 tp -81.03 17.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 C-N-CA 119.724 -0.791 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.94 -9.14 47.2 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.201 -0.999 . . . . 0.0 111.203 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 12.1 p -103.58 -9.18 19.45 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.51 -57.57 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.962 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . 0.684 HG22 ' O ' ' R' ' 83' ' ' THR . 90.9 m -102.07 32.28 3.55 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . 0.734 ' HE ' ' N ' ' R' ' 85' ' ' GLY . 0.0 OUTLIER -13.89 -62.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.163 0 O-C-N 124.274 0.984 . . . . 0.0 113.119 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . 0.734 ' N ' ' HE ' ' R' ' 84' ' ' ARG . . . -172.43 151.93 15.6 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 118.811 -1.661 . . . . 0.0 111.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -161.27 31.42 0.14 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.192 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -38.2 -65.78 0.31 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.605 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 20.3 p -70.2 107.79 3.86 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.788 ' H ' HD23 ' R' ' 89' ' ' LEU . 2.0 pt? -65.4 -8.34 18.27 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.361 -0.935 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -66.3 -16.5 64.09 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.485 -0.886 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.37 73.53 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.86 68.78 1.76 Allowed Pre-proline 0 N--CA 1.488 1.464 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.08 -21.07 24.39 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.669 1.579 . . . . 0.0 109.99 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' R' ' 96' ' ' LEU . 0.0 OUTLIER -52.15 -19.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.95 1.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.468 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.7 tp -94.42 -45.01 7.63 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.355 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' R' ' 97' ' ' ARG . 6.2 mtt85 -49.71 -21.87 1.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.803 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' R' ' 96' ' ' LEU . 18.2 mm-40 -52.99 -65.31 0.58 Allowed 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.854 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 40.3 t90 -77.54 -56.53 4.45 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 118.57 -1.252 . . . . 0.0 110.669 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.873 HD11 HG13 ' R' ' 58' ' ' VAL . 4.0 tp -35.61 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' R' ' 99' ' ' TRP . 2.9 tt0 -78.13 -37.78 45.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.339 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' R' ' 99' ' ' TRP . 1.3 mt-10 -74.63 -10.61 59.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 p -105.65 -34.04 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 118.999 -1.08 . . . . 0.0 113.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.23 -65.54 0.96 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.97 -56.81 15.31 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.54 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' R' ' 102' ' ' GLU . 44.9 tttt -113.41 125.24 54.03 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.444 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.31 -1.805 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 4.8 p -139.27 72.21 38.78 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.087 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' S' ' 7' ' ' TYR . 1.8 Cg_endo -66.54 -42.34 9.76 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.641 1.56 . . . . 0.0 111.819 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' S' ' 6' ' ' PRO . 1.8 t80 67.61 128.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.75 168.19 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.496 -0.881 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 119.69 17.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.34 -159.46 0.7 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.679 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 139.5 58.77 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.505 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.73 -80.18 0.18 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.04 171.41 8.96 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -103.22 40.52 1.39 Allowed 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.313 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.02 117.29 10.48 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.589 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' S' ' 16' ' ' HIS . 1.3 p-80 -135.77 22.92 3.35 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.836 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -80.6 -65.86 0.96 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.629 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -63.6 -14.64 53.54 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.931 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -56.23 -16.43 5.36 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.51 -51.36 2.88 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.633 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -49.35 -50.33 40.34 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.711 ' CD2' HG23 ' R' ' 55' ' ' VAL . 34.4 t80 -75.59 -53.33 8.78 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 118.292 -1.363 . . . . 0.0 113.805 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' S' ' 22' ' ' PHE . 14.7 m -44.85 -27.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 118.284 -1.366 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.1 OUTLIER -60.15 -43.06 96.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' S' ' 22' ' ' PHE . 70.8 mt -61.96 -33.1 73.68 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.389 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tp -47.26 -34.75 6.91 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 118.503 -1.279 . . . . 0.0 109.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -70.81 -46.86 62.04 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.454 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . 0.698 ' H ' HD22 ' S' ' 28' ' ' ASN . 1.9 m-80 -47.35 -42.91 22.46 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.39 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.854 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -76.83 -45.21 29.38 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.748 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.6 OUTLIER -48.11 -81.94 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.601 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.55 ' C ' ' H ' ' S' ' 33' ' ' ASP . 1.0 OUTLIER -15.78 -67.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 125.066 1.479 . . . . 0.0 112.923 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.602 ' O ' ' N ' ' S' ' 34' ' ' LEU . 9.1 m-20 -74.95 35.3 0.1 Allowed 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.002 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.748 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.2 OUTLIER 30.79 28.66 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 O-C-N 124.268 0.98 . . . . 0.0 111.913 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' S' ' 32' ' ' ASN . 3.6 mt -92.16 14.78 15.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.831 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.54 -29.98 33.31 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 118.143 -1.423 . . . . 0.0 110.738 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -37.96 -55.06 2.33 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.59 -66.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 CA-C-N 119.09 0.711 . . . . 0.0 111.203 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.654 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -50.61 -31.16 15.18 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.095 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' S' ' 39' ' ' LEU . 0.2 OUTLIER -53.08 -56.99 11.95 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.754 -1.178 . . . . 0.0 108.506 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -31.37 35.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 26.8 tp -55.98 -28.29 56.46 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.326 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . 0.561 ' SD ' HD11 ' R' ' 57' ' ' ILE . 1.3 mpp? -106.59 10.92 31.01 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.719 -0.792 . . . . 0.0 112.5 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.96 -1.11 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.524 ' H ' ' C ' ' S' ' 42' ' ' MET . 0.0 OUTLIER -43.67 159.97 0.22 Allowed Pre-proline 0 C--N 1.302 -1.47 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.207 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.23 -24.31 15.03 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.361 1.374 . . . . 0.0 111.508 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.67 -41.16 96.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.09 -44.86 10.04 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.73 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -46.01 -57.24 4.59 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -61.29 -15.29 33.76 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.228 -0.989 . . . . 0.0 110.76 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 -5.73 33.33 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.034 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' S' ' 51' ' ' LEU . 0.2 OUTLIER -81.27 -82.05 0.13 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.526 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' S' ' 51' ' ' LEU . . . -45.54 -34.28 4.94 Favored Glycine 0 N--CA 1.482 1.718 0 C-N-CA 119.472 -1.347 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -65.36 -54.75 24.35 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.847 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.428 ' NH2' HD13 ' R' ' 38' ' ' LEU . 11.0 tpt180 -45.52 -29.03 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.7 HG13 ' CD1' ' R' ' 22' ' ' PHE . 17.3 t -82.48 -37.0 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.998 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.493 ' NH1' ' OE1' ' S' ' 59' ' ' GLU . 0.1 OUTLIER -63.66 -60.93 2.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' S' ' 58' ' ' VAL . 0.4 OUTLIER -41.29 -77.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.398 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' S' ' 57' ' ' ILE . 72.1 t -35.65 -52.23 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.846 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . 0.493 ' OE1' ' NH1' ' S' ' 56' ' ' ARG . 20.0 tt0 -55.78 -74.01 0.05 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 118.969 -1.092 . . . . 0.0 111.872 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . 0.422 ' OE2' ' OE2' ' S' ' 74' ' ' GLU . 4.1 mm-40 -47.34 -50.5 21.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.752 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -41.73 -61.62 1.06 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.199 -1.0 . . . . 0.0 111.521 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -56.32 14.09 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.021 -1.071 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -12.36 0.63 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.245 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.12 25.13 7.17 Favored Glycine 0 N--CA 1.489 2.222 0 C-N-CA 119.324 -1.417 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.31 8.12 43.01 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 44.4 tpp -130.86 -71.59 0.57 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.929 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.41 84.47 2.52 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.212 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.02 -18.62 63.53 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -66.41 -29.11 69.19 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.248 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -110.64 46.96 1.01 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -23.47 24.12 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.146 -1.022 . . . . 0.0 110.423 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -151.32 -18.62 0.2 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.582 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -56.99 -73.64 0.06 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' S' ' 76' ' ' GLY . 37.3 mt-10 51.73 77.92 0.13 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.64 2.0 1.09 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' S' ' 74' ' ' GLU . . . -90.46 -14.73 58.14 Favored Glycine 0 N--CA 1.489 2.179 0 C-N-CA 119.178 -1.487 . . . . 0.0 109.956 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.17 -102.73 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.78 -175.6 42.64 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.274 -1.441 . . . . 0.0 111.038 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' H ' ' S' ' 79' ' ' ILE . 0.8 OUTLIER -92.47 8.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.147 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . 0.655 ' O ' HG22 ' S' ' 83' ' ' THR . . . -42.52 -46.1 4.72 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.715 -0.794 . . . . 0.0 111.714 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 69.2 p -77.34 -47.82 18.96 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.787 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.586 HG22 ' O ' ' S' ' 82' ' ' ILE . 47.8 mt -70.25 -1.69 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 119.486 -0.886 . . . . 0.0 111.244 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.655 HG22 ' O ' ' S' ' 80' ' ' ALA . 11.3 t -72.17 22.9 0.05 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.132 -1.027 . . . . 0.0 111.395 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' S' ' 82' ' ' ILE . 0.0 OUTLIER -41.21 -37.29 0.9 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.743 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.84 -140.37 5.65 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.097 -1.525 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.26 -170.98 3.54 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' S' ' 88' ' ' SER . 50.8 t30 52.01 -141.59 0.81 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . 0.425 ' H ' ' CG ' ' S' ' 87' ' ' ASN . 0.6 OUTLIER 43.54 38.91 2.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.987 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 tp -40.93 -55.36 2.52 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.631 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' S' ' 91' ' ' ALA . 15.2 mttp -56.08 -86.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.528 -0.869 . . . . 0.0 112.108 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' S' ' 90' ' ' LYS . . . 76.48 -0.11 3.11 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.461 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.423 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . 50.49 68.42 3.43 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.922 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' S' ' 92' ' ' ALA . 18.1 Cg_endo -86.56 -17.95 3.3 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.234 1.956 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . 0.453 ' H ' HG23 ' S' ' 94' ' ' VAL . 2.1 t -56.86 -27.39 26.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.672 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -78.72 -9.8 59.55 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.521 ' O ' HD23 ' S' ' 96' ' ' LEU . 1.2 tt -93.84 -44.76 7.96 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.311 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -54.29 -15.59 1.68 Allowed 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.663 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' S' ' 96' ' ' LEU . 41.4 mm-40 -51.75 -59.43 4.3 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.438 ' CH2' HG21 ' S' ' 103' ' ' VAL . 40.6 t90 -85.96 -49.27 7.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.056 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tp -43.5 -40.88 4.11 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.736 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.15 -24.64 27.42 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.39 -7.67 22.72 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.3 OUTLIER -97.75 -40.39 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' S' ' 106' ' ' LYS . 2.9 tp -106.3 -27.02 11.26 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.41 -0.916 . . . . 0.0 112.356 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.6 27.2 0.22 Allowed 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 118.953 -1.099 . . . . 0.0 110.521 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' S' ' 104' ' ' LEU . 9.2 mttp -84.08 77.2 9.98 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 116.397 -1.763 . . . . 0.0 110.9 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.861 0.363 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -178.8 70.48 0.2 Allowed Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.744 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' R' ' 8' ' ' SER . 2.0 Cg_endo -70.64 -8.19 23.05 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.88 1.72 . . . . 0.0 111.751 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.04 25.69 0.12 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.238 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . 0.43 ' H ' ' C ' ' R' ' 6' ' ' PRO . 2.9 p -176.76 108.94 0.08 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.193 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.0 -36.03 0.27 Allowed 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.501 -0.879 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.7 3.08 17.49 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . 0.457 ' O ' ' N ' ' R' ' 13' ' ' GLU . 35.3 mtt -86.7 124.66 33.2 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 110.703 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 82.32 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.355 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' R' ' 11' ' ' MET . 27.0 tt0 -104.89 59.95 0.69 Allowed 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.175 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -168.51 78.48 0.14 Allowed 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -82.25 93.21 7.07 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.069 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -134.54 8.15 3.61 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.498 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' R' ' 19' ' ' TRP . 2.6 mt-30 -83.89 -82.22 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' R' ' 20' ' ' LEU . 7.5 mt-10 -42.01 -27.12 0.11 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.45 ' HE1' HD21 ' S' ' 36' ' ' LEU . 68.4 t-105 -48.61 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.664 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' R' ' 18' ' ' GLU . 16.1 mt -118.17 -70.56 0.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.565 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -44.82 7.5 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' R' ' 24' ' ' ASP . 48.2 m-85 -87.07 -47.68 8.71 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 118.359 -1.337 . . . . 0.0 112.404 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -50.18 -21.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 C-N-CA 118.228 -1.389 . . . . 0.0 108.866 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 86.8 m-20 -74.29 -38.65 63.32 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.242 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.42 -31.93 73.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.83 -45.86 92.8 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' ND2' ' R' ' 28' ' ' ASN . 0.3 OUTLIER -64.35 -20.52 66.16 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.45 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . 0.422 ' ND2' ' NZ ' ' R' ' 27' ' ' LYS . 0.8 OUTLIER -70.8 -53.49 15.16 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.298 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.553 ' HB2' ' CZ3' ' S' ' 99' ' ' TRP . . . -56.33 -37.84 70.51 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.279 -1.368 . . . . 0.0 108.767 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -58.96 -69.5 0.19 Allowed 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 118.218 -1.393 . . . . 0.0 109.83 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' R' ' 30' ' ' TYR . 0.2 OUTLIER 7.51 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 126.794 2.559 . . . . 0.0 111.09 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.691 ' N ' ' O ' ' R' ' 30' ' ' TYR . 1.9 t-20 -93.05 -92.76 0.16 Allowed 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 42.1 m-20 -152.74 23.71 0.59 Allowed 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' S' ' 99' ' ' TRP . 9.3 mp -82.49 14.84 2.81 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 117.916 -1.514 . . . . 0.0 114.1 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' R' ' 30' ' ' TYR . 29.8 p-80 -88.18 -42.7 12.15 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.3 -1.36 . . . . 0.0 109.967 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' R' ' 35' ' ' HIS . 2.0 mm? -27.56 -59.69 0.21 Allowed Pre-proline 0 N--CA 1.5 2.059 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.39 -76.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 120.427 0.751 . . . . 0.0 112.584 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.726 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.736 -1.185 . . . . 0.0 110.316 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.609 HD13 ' C ' ' R' ' 39' ' ' LEU . 2.2 tm? -46.79 -63.22 1.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.409 -1.316 . . . . 0.0 107.968 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -46.1 -36.68 6.04 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.705 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.56 -18.46 2.87 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.74 -1.184 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.47 25.65 10.13 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.591 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.04 13.42 2.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 18.0 p -43.3 150.26 0.51 Allowed Pre-proline 0 N--CA 1.491 1.604 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -48.13 -30.78 15.09 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.05 1.167 . . . . 0.0 111.876 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -56.58 19.38 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.814 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.02 -45.79 66.47 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -39.81 -57.54 1.54 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.706 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' R' ' 51' ' ' LEU . 97.3 mt-10 -59.56 -61.19 2.8 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.516 -0.874 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.83 -11.14 0.05 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.353 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' R' ' 49' ' ' GLU . 0.1 OUTLIER -78.76 -70.52 0.49 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.152 -1.019 . . . . 0.0 111.055 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.79 -26.63 11.15 Favored Glycine 0 N--CA 1.483 1.805 0 C-N-CA 119.259 -1.448 . . . . 0.0 110.565 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' R' ' 49' ' ' GLU . 0.0 OUTLIER -70.06 -50.37 41.76 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.234 -0.986 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 118.788 -1.165 . . . . 0.0 110.011 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.21 -33.29 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -68.26 0.18 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.3 OUTLIER -44.25 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' R' ' 57' ' ' ILE . 61.6 t -34.16 -56.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.425 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' R' ' 62' ' ' LEU . 73.3 mm-40 -65.01 -67.2 0.46 Allowed 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.009 -1.076 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.5 mm-40 -33.57 -42.11 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.55 -45.16 91.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.534 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' R' ' 59' ' ' GLU . 7.2 tt -43.04 -46.68 5.67 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.619 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -94.65 -11.94 28.31 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.399 -0.921 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.62 -15.59 73.41 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.512 -1.328 . . . . 0.0 110.701 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.04 -31.01 67.35 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.803 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 26.9 mtm -82.05 -17.46 46.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.731 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . 0.672 ' OG ' HD12 ' R' ' 71' ' ' LEU . 24.2 m -103.4 164.62 11.53 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.501 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -92.54 -80.48 0.37 Allowed 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.334 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -131.07 -33.4 1.53 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.072 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.09 -60.45 2.46 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.983 -1.087 . . . . 0.0 111.055 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . 0.672 HD12 ' OG ' ' R' ' 67' ' ' SER . 13.5 mt -78.08 57.2 1.75 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.31 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . 0.405 ' H ' ' H ' ' R' ' 73' ' ' ASN . 12.7 tttm -165.76 -8.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . 0.405 ' H ' ' H ' ' R' ' 72' ' ' LYS . 0.5 OUTLIER -131.22 -11.03 3.69 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.693 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -146.51 77.25 1.47 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 mt -117.97 14.13 14.09 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.489 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.24 69.02 0.63 Allowed Glycine 0 N--CA 1.491 2.347 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.91 -79.3 0.09 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' R' ' 80' ' ' ALA . . . -162.36 45.59 0.35 Allowed Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.544 -1.312 . . . . 0.0 110.112 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.85 -3.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' R' ' 78' ' ' GLY . . . -64.49 -30.72 71.75 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . 0.42 ' H ' HG23 ' R' ' 81' ' ' THR . 12.3 p -81.83 -21.62 37.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -90.24 -52.1 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.656 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 16.9 m -56.39 -76.61 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -52.94 -99.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.494 -0.882 . . . . 0.0 111.249 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.35 89.29 0.01 OUTLIER Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.459 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.1 160.72 27.13 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 120.116 -0.633 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -144.62 71.74 1.32 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.271 -0.972 . . . . 0.0 111.689 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -12.21 60.43 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.973 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' R' ' 89' ' ' LEU . 0.1 OUTLIER -68.39 -68.92 0.36 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.664 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -93.03 -35.81 13.05 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.396 -0.921 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.5 64.36 1.87 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.882 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.6 59.91 0.84 Allowed Pre-proline 0 C--N 1.302 -1.478 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -58.66 -20.13 49.05 Favored 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.114 1.21 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.408 HG23 ' H ' ' R' ' 94' ' ' VAL . 0.0 OUTLIER -56.13 -14.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.31 -0.956 . . . . 0.0 110.04 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.99 -23.65 62.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.033 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.48 ' C ' ' N ' ' R' ' 98' ' ' GLN . 23.1 tp -82.73 -45.38 14.48 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.642 -0.823 . . . . 0.0 109.839 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -49.93 -18.52 0.53 Allowed 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.135 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.48 ' N ' ' C ' ' R' ' 96' ' ' LEU . 89.6 mt-30 -52.29 -53.4 44.51 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.547 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 29' ' ' ALA . 30.4 t90 -95.43 -55.08 3.16 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.771 -1.172 . . . . 0.0 111.52 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tp -45.79 -44.67 14.22 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.43 -2.58 3.37 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.706 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.6 -22.63 11.87 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.82 -34.44 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.493 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -44.99 15.23 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 118.954 -1.098 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' R' ' 105' ' ' LEU . 1.1 mm? -57.82 -68.99 0.19 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -159.4 128.1 5.17 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.819 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 116.381 -1.771 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.958 0.408 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -162.77 88.41 1.33 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.73 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -63.43 123.07 11.47 Favored 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 121.011 1.14 . . . . 0.0 111.871 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -68.3 163.9 21.95 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.138 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 16.5 m -148.64 -15.39 0.32 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.456 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.06 70.18 1.29 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.3 142.74 7.15 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.472 -0.891 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.77 -166.71 0.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.91 76.5 0.79 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.64 77.8 4.31 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.782 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -92.2 147.81 22.64 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . 0.5 ' C ' ' H ' ' S' ' 17' ' ' GLN . 57.7 mtp85 -72.99 -72.49 0.25 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.245 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' S' ' 16' ' ' HIS . 0.0 OUTLIER 53.26 5.43 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.384 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' S' ' 15' ' ' ARG . 43.0 tt0 -87.02 -45.7 10.51 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.915 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' S' ' 20' ' ' LEU . 8.7 pt-20 -66.4 -36.66 83.38 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.349 -0.94 . . . . 0.0 112.009 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' S' ' 19' ' ' TRP . 25.3 t-105 -58.88 -3.33 0.32 Allowed 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.533 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' S' ' 18' ' ' GLU . 20.6 mt -114.26 -40.67 3.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.147 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.79 95.67 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.285 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -72.62 -61.64 1.73 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.623 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.518 HG23 ' N ' ' S' ' 24' ' ' ASP . 33.0 m -42.3 -42.76 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 119.4 -0.92 . . . . 0.0 111.819 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.518 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.7 OUTLIER -51.72 -37.18 49.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.71 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -80.37 -24.62 39.65 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.713 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -72.89 -43.08 62.9 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -50.66 -49.36 57.33 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.522 ' HB2' ' CZ3' ' R' ' 99' ' ' TRP . . . -64.32 -45.59 87.25 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER -44.94 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.191 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' S' ' 30' ' ' TYR . 13.0 tt0 -9.5 -69.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.038 1.461 . . . . 0.0 113.668 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' S' ' 34' ' ' LEU . 19.0 m-20 -84.17 38.69 0.67 Allowed 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.73 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.1 t70 32.91 28.61 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.365 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.7 OUTLIER -88.87 15.7 8.03 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.452 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 46.8 p-80 -99.33 -6.87 27.14 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.941 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.45 HD21 ' HE1' ' R' ' 19' ' ' TRP . 2.1 mt -54.17 -47.78 96.26 Favored Pre-proline 0 C--N 1.3 -1.584 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' S' ' 40' ' ' ASN . 1.8 Cg_endo -66.71 -61.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 120.318 0.679 . . . . 0.0 111.228 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.667 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.3 OUTLIER -51.6 -38.84 56.4 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.521 -1.271 . . . . 0.0 108.42 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 23.1 tp -58.95 -31.08 68.39 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.129 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' S' ' 40' ' ' ASN . 0.0 OUTLIER -81.79 -8.62 59.71 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.929 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . 0.459 HD23 HD22 ' R' ' 96' ' ' LEU . 0.2 OUTLIER -62.74 -46.15 89.38 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.589 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 2.4 tpt -105.91 39.23 1.82 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.653 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.91 ' O ' HD12 ' S' ' 43' ' ' LEU . 0.3 OUTLIER -67.82 -0.36 4.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.129 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.456 ' C ' ' O ' ' S' ' 43' ' ' LEU . 0.7 OUTLIER -36.94 155.38 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.753 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.611 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -50.43 -12.87 0.58 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 120.899 1.066 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' S' ' 44' ' ' THR . 0.1 OUTLIER -66.78 -65.41 0.68 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.038 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.86 -40.05 72.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.845 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -56.9 -48.04 79.14 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.676 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . 0.404 ' O ' ' OG1' ' S' ' 53' ' ' THR . 11.7 mt-10 -61.43 -4.01 1.15 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.749 -0.781 . . . . 0.0 111.268 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' S' ' 54' ' ' ARG . . . -114.16 -40.96 3.58 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.336 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.55 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.2 tm? -47.73 -76.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.403 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.99 -41.21 44.91 Favored Glycine 0 N--CA 1.482 1.742 0 C-N-CA 119.252 -1.452 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' S' ' 49' ' ' GLU . 0.0 OUTLIER -69.94 -19.33 63.38 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.68 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' S' ' 50' ' ' ALA . 28.3 ttm180 -79.0 -30.35 44.23 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.171 -1.011 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.457 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.7 OUTLIER -83.35 -28.13 7.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.158 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.34 -61.8 2.36 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.341 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.523 HG22 HG23 ' S' ' 82' ' ' ILE . 0.5 OUTLIER -38.95 -72.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.025 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.747 HG13 HD11 ' S' ' 100' ' ' LEU . 60.4 t -37.7 -64.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.93 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.76 10.81 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . 0.407 ' OE1' ' OD1' ' S' ' 73' ' ' ASN . 37.1 mm-40 -116.14 -38.67 3.56 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.681 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.23 -36.51 22.69 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.868 -1.133 . . . . 0.0 111.51 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -83.1 -25.03 32.37 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.549 -1.26 . . . . 0.0 110.814 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 5.38 47.22 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' S' ' 65' ' ' GLU . . . -63.81 -12.9 49.97 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.495 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' S' ' 64' ' ' GLY . 8.4 pt-20 31.28 41.24 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.115 0.483 . . . . 0.0 111.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.96 55.92 7.19 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.547 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 53.2 p -86.44 154.59 21.04 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.576 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.31 -60.46 2.12 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' S' ' 70' ' ' GLU . 35.1 mtp180 -128.79 -98.78 0.36 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.99 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' S' ' 69' ' ' ARG . 4.0 mm-40 37.82 55.68 1.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.734 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' S' ' 71' ' ' LEU . 0.2 OUTLIER -116.37 -32.85 5.14 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.151 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' S' ' 74' ' ' GLU . 14.7 mttm -102.62 -5.07 24.27 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.546 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' S' ' 72' ' ' LYS . 0.4 OUTLIER 17.8 38.98 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.6 1.187 . . . . 0.0 113.293 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' S' ' 72' ' ' LYS . 6.5 mt-10 41.81 55.74 3.59 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.566 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -74.35 -50.58 18.12 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.97 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.88 -64.91 0.34 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -65.35 0.92 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.422 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.53 -156.06 23.36 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.609 -1.281 . . . . 0.0 110.769 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pt -78.08 9.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.06 -15.98 62.56 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 20.4 p -122.41 15.74 10.47 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.253 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.523 HG23 HG22 ' S' ' 57' ' ' ILE . 37.7 mt -126.79 -59.08 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.208 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.438 ' O ' ' O ' ' S' ' 84' ' ' ARG . 89.8 m -97.73 -80.83 0.44 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.414 -0.915 . . . . 0.0 111.962 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' S' ' 83' ' ' THR . 22.4 mmt-85 -45.57 -102.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 120.009 -0.677 . . . . 0.0 112.205 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.12 -175.44 0.14 Allowed Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.019 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 60.2 m -73.3 104.93 4.49 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . 0.626 HD21 ' CB ' ' S' ' 92' ' ' ALA . 1.8 t30 -172.37 143.24 1.4 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.287 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . 0.476 ' C ' ' H ' ' S' ' 90' ' ' LYS . 1.0 OUTLIER -88.47 129.39 35.45 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.236 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.701 ' H ' HD23 ' S' ' 89' ' ' LEU . 0.1 OUTLIER -70.1 14.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.548 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' S' ' 88' ' ' SER . 8.1 mttm -69.16 -61.6 1.73 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.97 81.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.904 -0.719 . . . . 0.0 110.192 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.626 ' CB ' HD21 ' S' ' 87' ' ' ASN . . . -108.51 -42.36 0.12 Allowed Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 4.0 Cg_exo -66.68 -31.02 41.16 Favored 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.254 1.303 . . . . 0.0 112.429 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . 0.471 ' H ' HG23 ' S' ' 94' ' ' VAL . 2.0 t -55.93 -8.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.978 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' S' ' 93' ' ' PRO . 2.9 mt-10 -99.89 -17.1 17.77 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.494 HD11 HD13 ' S' ' 100' ' ' LEU . 29.0 tp -83.84 -39.16 20.27 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -54.19 -31.74 53.75 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.32 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -66.19 0.37 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.696 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' R' ' 29' ' ' ALA . 34.9 t90 -86.48 -54.69 4.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 118.736 -1.186 . . . . 0.0 113.368 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.747 HD11 HG13 ' S' ' 58' ' ' VAL . 4.1 tp -36.19 -58.82 0.66 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -49.62 -26.73 3.86 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.525 -1.27 . . . . 0.0 111.785 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -83.36 -28.33 29.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.987 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' S' ' 104' ' ' LEU . 1.1 p -91.5 -35.94 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.386 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' S' ' 103' ' ' VAL . 0.1 OUTLIER -83.87 -49.71 8.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.748 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.84 6.61 2.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.325 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp 46.79 -138.53 0.63 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.121 -1.031 . . . . 0.0 110.673 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 116.327 -1.797 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.778 0.323 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -147.13 63.2 7.93 Favored Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.526 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.73 102.87 0.31 Allowed 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 121.403 1.402 . . . . 0.0 111.236 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' R' ' 7' ' ' TYR . 0.8 OUTLIER -66.13 135.15 54.17 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -152.75 15.82 0.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.696 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.1 95.95 2.81 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.78 -19.65 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.708 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtm -67.02 -46.48 74.33 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.802 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.03 -153.47 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.788 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.71 178.39 6.76 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.7 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.11 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.636 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -149.62 80.45 1.39 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.752 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -164.6 38.85 0.08 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -84.12 -74.2 0.39 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.281 -0.967 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' R' ' 20' ' ' LEU . 2.2 mt-10 -51.1 -32.95 24.09 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.657 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.533 ' CG ' ' O ' ' R' ' 19' ' ' TRP . 49.1 t-105 -57.61 -1.34 0.09 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' R' ' 18' ' ' GLU . 81.7 mt -119.99 -64.82 1.22 Allowed 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.925 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -59.67 -29.73 68.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -89.29 -50.37 6.17 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.509 -1.276 . . . . 0.0 112.143 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.37 -30.86 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 117.717 -1.593 . . . . 0.0 108.736 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.32 -49.44 67.04 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 118.766 -1.173 . . . . 0.0 109.241 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . 0.719 ' N ' HD12 ' R' ' 25' ' ' LEU . 8.2 mp -61.51 -31.82 71.84 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -53.27 -55.67 22.74 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.217 -1.393 . . . . 0.0 109.457 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -59.82 -29.81 68.51 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.033 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -60.93 -43.55 98.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.425 -1.31 . . . . 0.0 109.418 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.464 ' HB2' ' CH2' ' S' ' 99' ' ' TRP . . . -59.73 -53.9 52.63 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' R' ' 32' ' ' ASN . 11.7 m-85 -45.01 -71.4 0.08 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.583 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' R' ' 30' ' ' TYR . 2.1 tp60 8.69 -69.15 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.872 2.608 . . . . 0.0 110.968 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.674 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.8 OUTLIER -91.63 -90.02 0.17 Allowed 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 0.3 OUTLIER -153.43 21.47 0.55 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' S' ' 99' ' ' TRP . 4.0 mm? -81.99 12.09 4.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 117.123 -1.831 . . . . 0.0 113.167 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.507 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 2.2 p-80 -77.24 -52.23 9.57 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 117.154 -1.818 . . . . 0.0 110.418 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.507 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 3.8 mt -32.12 -57.46 0.44 Allowed Pre-proline 0 N--CA 1.492 1.632 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.85 -72.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 119.224 0.759 . . . . 0.0 112.094 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.714 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -39.83 59.47 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.556 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 26.9 tp -60.37 -41.46 93.77 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.61 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -23.69 67.38 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.636 -0.826 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' R' ' 41' ' ' LEU . 0.2 OUTLIER -51.69 -55.45 19.47 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 118.431 -1.307 . . . . 0.0 109.094 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 5.0 ttp -106.28 55.75 0.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.818 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.1 OUTLIER -86.79 9.6 18.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.464 ' C ' ' O ' ' R' ' 43' ' ' LEU . 77.8 p -34.01 147.14 0.12 Allowed Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.564 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.05 -31.7 36.07 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.406 1.404 . . . . 0.0 111.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -38.41 76.95 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.196 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' R' ' 50' ' ' ALA . 10.4 tp10 -77.17 -56.31 4.68 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' R' ' 50' ' ' ALA . 13.5 ttp180 -50.27 -52.25 37.89 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.457 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -50.25 -16.45 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' R' ' 48' ' ' ARG . . . -97.35 -46.62 6.02 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.508 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.409 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 5.6 tt -46.5 -60.77 2.15 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.099 -1.04 . . . . 0.0 110.64 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.41 -58.03 4.14 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.574 -1.298 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . 0.555 ' O ' ' N ' ' R' ' 55' ' ' VAL . 53.2 m -56.58 -68.72 0.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.811 -0.756 . . . . 0.0 112.23 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . 0.56 ' HA ' HD11 ' R' ' 57' ' ' ILE . 37.8 ttm105 -40.0 -19.28 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.441 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' R' ' 53' ' ' THR . 2.3 t -96.53 -38.07 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 119.716 -0.794 . . . . 0.0 112.602 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' R' ' 57' ' ' ILE . 38.4 mtt85 -64.19 -52.2 60.07 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.141 -1.023 . . . . 0.0 112.519 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' R' ' 54' ' ' ARG . 0.3 OUTLIER -44.97 -76.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.395 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.693 HG21 HD21 ' S' ' 38' ' ' LEU . 17.0 t -34.33 -52.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 124.194 0.934 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -62.0 -76.8 0.05 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.353 -0.939 . . . . 0.0 111.336 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -51.38 -11.58 0.12 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.269 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' R' ' 57' ' ' ILE . 12.6 mt -77.2 -61.43 1.99 Allowed 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.572 -1.251 . . . . 0.0 111.566 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -77.66 4.6 11.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . 0.409 ' C ' ' H ' ' R' ' 65' ' ' GLU . 4.5 ttt180 -80.98 16.69 1.4 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.18 22.05 3.88 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.111 -1.519 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' R' ' 63' ' ' ARG . 1.8 pt-20 -71.48 1.0 7.06 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.018 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 17.5 mmm -92.44 -73.57 0.55 Allowed 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.19 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.71 151.71 39.31 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.019 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.94 -17.95 64.02 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.217 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -74.5 -37.87 63.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.432 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -81.0 18.18 1.08 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 119.564 -0.855 . . . . 0.0 110.404 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.3 95.62 3.22 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.305 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt 46.79 43.92 13.61 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.781 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -83.8 -85.5 0.13 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.339 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 171.28 -16.74 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.849 -0.741 . . . . 0.0 111.185 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.71 23.77 4.53 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.541 -0.864 . . . . 0.0 112.133 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 37.59 0.02 OUTLIER Glycine 0 N--CA 1.491 2.308 0 C-N-CA 118.901 -1.618 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.36 -31.13 0.2 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.43 70.01 1.27 Allowed Glycine 0 N--CA 1.489 2.179 0 C-N-CA 119.469 -1.348 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.51 -14.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.86 -51.37 13.12 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -15.61 61.46 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.575 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' R' ' 83' ' ' THR . 0.9 OUTLIER -115.65 30.05 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . 0.442 ' C ' ' O ' ' R' ' 82' ' ' ILE . 7.2 m -32.26 -55.7 0.32 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.855 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.89 -62.52 1.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.217 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.9 75.05 0.25 Allowed Glycine 0 N--CA 1.489 2.213 0 C-N-CA 119.66 -1.257 . . . . 0.0 110.477 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 13.6 m -151.27 123.52 8.29 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.379 -0.928 . . . . 0.0 110.803 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.3 OUTLIER -165.46 86.14 0.38 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.604 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . 0.407 ' O ' ' O ' ' R' ' 87' ' ' ASN . 1.9 t 61.74 122.12 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.65 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.983 ' H ' HD23 ' R' ' 89' ' ' LEU . 1.7 pt? -113.49 -2.84 13.79 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -94.27 0.72 55.81 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.228 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.88 64.02 0.13 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.321 -1.352 . . . . 0.0 112.401 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . 0.708 ' HB3' ' HD3' ' R' ' 93' ' ' PRO . . . -158.46 -53.79 0.01 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 C-N-CA 118.639 -1.224 . . . . 0.0 112.086 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' R' ' 92' ' ' ALA . 10.2 Cg_endo -75.69 -34.52 3.22 Favored 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 120.422 0.748 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.34 -19.28 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.64 -16.39 24.36 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.649 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.604 HD11 HD13 ' R' ' 100' ' ' LEU . 30.1 tp -87.14 -43.26 12.39 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -20.4 1.36 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 118.027 -1.469 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' R' ' 96' ' ' LEU . 27.6 mt-30 -51.75 -61.66 2.12 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.523 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.607 ' CH2' HG21 ' R' ' 103' ' ' VAL . 40.7 t90 -88.21 -50.95 6.04 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 118.613 -1.235 . . . . 0.0 112.213 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.604 HD13 HD11 ' R' ' 96' ' ' LEU . 2.1 tp -41.72 -38.59 1.48 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.56 -3.94 1.71 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' R' ' 100' ' ' LEU . 21.7 mt-10 -113.1 -28.33 7.7 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.352 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.607 HG21 ' CH2' ' R' ' 99' ' ' TRP . 1.6 p -85.04 -28.01 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.964 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.68 -11.8 10.95 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.622 -0.831 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' R' ' 105' ' ' LEU . 0.2 OUTLIER -112.65 -62.75 1.53 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -92.85 67.23 4.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 116.335 -1.793 . . . . 0.0 110.824 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' S' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.972 0.415 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . 0.416 ' C ' ' H ' ' S' ' 7' ' ' TYR . 5.1 m -170.13 68.13 0.56 Allowed Pre-proline 0 N--CA 1.487 1.407 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -58.56 -4.8 2.0 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 121.557 1.504 . . . . 0.0 111.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' S' ' 5' ' ' SER . 60.1 m-85 -91.91 -108.05 0.1 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.022 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 37.6 m -98.29 108.63 21.37 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.473 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 178.2 0.21 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.437 -0.905 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . 45.98 85.72 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.19 145.61 46.16 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.542 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.87 21.72 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.427 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -159.73 -8.3 0.06 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.444 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -114.72 124.23 51.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.424 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -142.61 153.5 43.54 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.402 ' H ' ' H ' ' S' ' 17' ' ' GLN . 0.1 OUTLIER -170.34 -10.45 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' S' ' 16' ' ' HIS . 29.7 mt-30 -46.66 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' S' ' 20' ' ' LEU . 0.9 OUTLIER -44.5 -64.76 0.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.536 0.684 . . . . 0.0 111.851 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.424 ' O ' HG21 ' S' ' 23' ' ' VAL . 68.2 t-105 -42.67 -12.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.465 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' S' ' 18' ' ' GLU . 78.9 mt -116.81 -67.66 0.98 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.792 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -45.8 -47.1 15.77 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.481 ' C ' ' N ' ' S' ' 24' ' ' ASP . 32.4 m-85 -83.38 -49.17 9.6 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 118.141 -1.424 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.424 HG21 ' O ' ' S' ' 19' ' ' TRP . 22.1 t -48.82 -16.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.692 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.2 OUTLIER -71.94 -40.82 68.45 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.628 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.54 -27.51 66.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.209 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -35.56 64.91 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.121 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -47.93 58.31 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.863 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.17 -47.44 9.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -67.74 -46.01 73.34 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.667 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.741 ' O ' ' N ' ' S' ' 33' ' ' ASP . 1.7 m-85 -51.69 -83.13 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' S' ' 33' ' ' ASP . 6.7 tt0 -16.65 -64.85 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.315 1.635 . . . . 0.0 112.899 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.609 ' O ' ' N ' ' S' ' 34' ' ' LEU . 25.0 m120 -74.5 32.47 0.09 Allowed 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.741 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.9 OUTLIER 32.1 27.19 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.049 0.843 . . . . 0.0 111.695 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' S' ' 32' ' ' ASN . 1.1 mp -97.14 16.18 20.46 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 110.002 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' CE1' ' S' ' 30' ' ' TYR . 6.5 p-80 -91.24 -7.04 52.37 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 0.7 OUTLIER -46.14 -52.94 24.78 Favored Pre-proline 0 C--N 1.301 -1.539 0 C-N-CA 118.276 -1.37 . . . . 0.0 111.979 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.2 Cg_exo -60.58 -69.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.32 -0.946 0 N-CA-C 110.023 -0.799 . . . . 0.0 110.023 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.693 HD21 HG21 ' R' ' 58' ' ' VAL . 0.5 OUTLIER -42.23 -56.72 2.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.946 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.442 HD21 ' CZ2' ' R' ' 19' ' ' TRP . 40.3 tp -43.76 -47.74 7.99 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.55 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -14.23 59.4 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 55.0 tp -42.87 -56.2 3.36 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.753 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 3.4 tpt -152.76 64.99 0.79 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.604 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.8 pp -67.71 -9.1 40.74 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.175 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.428 ' O ' ' O ' ' S' ' 43' ' ' LEU . 2.2 m 59.06 133.39 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.467 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' S' ' 46' ' ' ASP . 2.2 Cg_endo -58.2 -52.25 6.1 Favored 'Trans proline' 0 C--O 1.217 -0.529 0 C-N-CA 120.523 0.816 . . . . 0.0 111.3 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' S' ' 45' ' ' PRO . 0.0 OUTLIER -40.49 -42.65 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.206 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' S' ' 51' ' ' LEU . 6.2 tp10 -69.05 -46.97 66.52 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.855 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -37.55 -46.98 0.89 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.41 -53.55 13.69 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.36 16.5 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -68.31 -68.51 0.39 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.09 -50.56 33.18 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 118.932 -1.604 . . . . 0.0 109.539 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . 0.631 HG23 HH12 ' S' ' 56' ' ' ARG . 0.2 OUTLIER -52.46 -38.05 58.46 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.858 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.441 ' C ' ' CD ' ' S' ' 54' ' ' ARG . 0.0 OUTLIER -62.59 -54.92 32.39 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.209 -0.997 . . . . 0.0 111.164 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.424 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.7 OUTLIER -50.41 -29.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 C-N-CA 119.028 -1.069 . . . . 0.0 111.257 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.631 HH12 HG23 ' S' ' 53' ' ' THR . 22.0 ttm180 -59.24 -54.53 45.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.784 -1.166 . . . . 0.0 111.854 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.51 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 1.1 pt -45.86 -46.32 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 118.599 -1.24 . . . . 0.0 110.582 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.934 HG13 HD11 ' S' ' 100' ' ' LEU . 21.4 t -50.79 -59.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -53.12 -55.44 24.04 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.02 -43.82 66.83 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.088 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.85 -51.98 52.74 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.398 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' S' ' 64' ' ' GLY . 4.2 tp -50.52 -34.4 25.17 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.489 -1.284 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -67.17 9.22 0.23 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.149 -1.02 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' S' ' 62' ' ' LEU . . . -79.83 -1.96 87.8 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.404 -1.379 . . . . 0.0 110.581 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.09 -48.17 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.247 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.04 3.84 21.8 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.319 -0.952 . . . . 0.0 111.935 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.69 152.74 44.15 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . 0.404 ' HG2' ' HE ' ' S' ' 69' ' ' ARG . 5.9 tt0 -80.23 -76.16 0.23 Allowed 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' S' ' 68' ' ' GLN . 19.9 ptp180 -126.26 28.27 6.06 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.48 7.58 28.67 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -46.8 28.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.639 -1.224 . . . . 0.0 109.831 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.06 75.02 1.22 Allowed 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -92.36 15.56 13.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.647 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -124.75 49.7 1.81 Allowed 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.788 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.27 -2.42 3.03 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.27 -58.86 1.19 Allowed Glycine 0 N--CA 1.492 2.395 0 C-N-CA 119.367 -1.397 . . . . 0.0 110.751 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.43 159.09 16.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.447 -0.901 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.06 -5.37 36.23 Favored Glycine 0 N--CA 1.493 2.473 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.649 ' H ' HD12 ' S' ' 79' ' ' ILE . 0.7 OUTLIER -79.48 18.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 119.434 -0.906 . . . . 0.0 110.685 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.81 9.57 0.65 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.196 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . 0.423 ' H ' ' C ' ' S' ' 79' ' ' ILE . 6.9 m -126.24 -60.83 1.25 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -47.81 -73.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.453 ' O ' ' C ' ' S' ' 84' ' ' ARG . 0.2 OUTLIER -100.68 29.26 4.59 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.579 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' S' ' 83' ' ' THR . 0.0 OUTLIER -29.9 -46.95 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' S' ' 86' ' ' SER . . . -179.47 -10.45 0.02 OUTLIER Glycine 0 N--CA 1.491 2.334 0 C-N-CA 118.928 -1.606 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . 0.406 ' H ' ' H ' ' S' ' 85' ' ' GLY . 2.0 p -153.99 128.95 9.53 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -75.62 -123.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.274 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.71 166.55 24.29 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.791 ' H ' HD23 ' S' ' 89' ' ' LEU . 0.1 OUTLIER -55.54 -57.58 11.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.908 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -100.12 -68.25 0.82 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.264 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.88 -57.01 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 118.727 -1.189 . . . . 0.0 112.095 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.64 153.62 5.14 Favored Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.54 -171.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 120.878 1.052 . . . . 0.0 111.75 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' S' ' 96' ' ' LEU . 2.4 t -129.02 -50.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -0.43 6.22 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.157 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.661 HD13 ' C ' ' S' ' 96' ' ' LEU . 1.7 tm? -77.37 -57.06 4.03 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . 0.585 ' N ' HD13 ' S' ' 96' ' ' LEU . 6.5 mtm-85 -48.63 -35.85 14.59 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.171 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.61 -70.24 0.15 Allowed 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.985 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.579 ' HB2' HD12 ' R' ' 34' ' ' LEU . 26.8 t90 -50.13 -68.02 0.21 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 117.572 -1.651 . . . . 0.0 110.106 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.934 HD11 HG13 ' S' ' 58' ' ' VAL . 4.2 tp -28.43 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.915 -1.039 . . . . 0.0 112.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.9 tt0 -70.3 -57.77 4.5 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -50.08 -26.74 4.72 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.412 HG12 ' H ' ' S' ' 103' ' ' VAL . 2.6 p -89.68 -34.09 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 118.535 -1.266 . . . . 0.0 113.304 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.84 -36.12 16.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.561 -1.256 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.74 -51.61 37.72 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 118.42 -1.312 . . . . 0.0 110.26 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . . . . . . . . . 37.5 tttt 47.37 -146.86 0.21 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.17 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 116.37 -1.776 . . . . 0.0 110.793 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.943 0.401 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -154.08 76.65 5.77 Favored Pre-proline 0 N--CA 1.49 1.529 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.582 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -66.78 -8.96 22.92 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.454 1.436 . . . . 0.0 112.02 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.29 -178.63 7.31 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.213 -0.995 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 5.1 p -154.02 172.45 17.47 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.701 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.43 63.45 1.35 Allowed 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.96 97.95 3.76 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.825 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 27.5 ttp -84.39 135.56 34.23 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.908 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.6 108.08 19.65 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.96 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.65 -3.01 52.39 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . 0.409 ' HG3' ' H ' ' R' ' 14' ' ' GLN . 25.7 mt-30 -51.44 -33.88 32.72 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.034 -1.066 . . . . 0.0 110.69 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' R' ' 16' ' ' HIS . 1.0 OUTLIER -131.02 109.74 10.73 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.116 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' R' ' 16' ' ' HIS . 1.9 t60 169.07 -18.77 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.365 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' H ' ' R' ' 17' ' ' GLN . 0.0 OUTLIER -96.73 10.78 37.74 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.762 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -130.42 -68.26 0.7 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.781 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.434 ' CZ3' ' HG ' ' S' ' 51' ' ' LEU . 69.0 t-105 -41.43 -30.89 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.01 -57.47 2.02 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.997 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -52.08 -29.29 20.82 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.544 ' CG ' HG22 ' S' ' 55' ' ' VAL . 73.1 t80 -85.08 -57.66 3.0 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 117.742 -1.583 . . . . 0.0 112.904 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.58 -27.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 C-N-CA 117.832 -1.547 . . . . 0.0 109.971 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -36.26 77.38 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.128 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.34 -45.53 59.48 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.065 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tp -44.69 -47.92 10.63 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.268 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.65 72.94 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.204 -0.998 . . . . 0.0 112.168 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -47.25 85.87 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.189 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' S' ' 99' ' ' TRP . . . -67.49 -50.96 56.6 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 118.419 -1.313 . . . . 0.0 110.189 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.629 ' O ' ' N ' ' R' ' 32' ' ' ASN . 0.4 OUTLIER -43.98 -53.48 6.19 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.121 179.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' R' ' 30' ' ' TYR . 66.3 tt0 -3.83 -66.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 111.681 -2.509 . . . . 0.0 111.023 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' R' ' 30' ' ' TYR . 3.0 t-20 -101.46 -92.37 0.31 Allowed 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 116.936 -1.905 . . . . 0.0 108.505 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 12.8 m-20 -132.31 15.42 4.57 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.696 ' N ' HD23 ' R' ' 34' ' ' LEU . 0.2 OUTLIER -81.88 4.45 22.36 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.69 -55.07 10.98 Favored 'General case' 0 C--N 1.287 -2.15 0 C-N-CA 117.048 -1.861 . . . . 0.0 109.924 179.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.487 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 1.1 tp -38.56 -56.72 2.15 Favored Pre-proline 0 N--CA 1.505 2.281 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.73 -59.91 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 CA-C-N 120.101 1.072 . . . . 0.0 111.699 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.687 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -76.45 -49.32 16.93 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.516 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' R' ' 35' ' ' HIS . 30.1 tp -43.67 -36.97 2.39 Favored 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.801 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' R' ' 41' ' ' LEU . 20.3 t-20 -74.14 -29.21 61.69 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.439 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.452 HD13 ' O ' ' R' ' 41' ' ' LEU . 0.1 OUTLIER -39.03 -37.36 0.36 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.551 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -116.26 62.36 0.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.93 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.1 OUTLIER -85.32 -5.88 59.28 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.377 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.501 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.0 OUTLIER -34.94 161.32 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.786 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.65 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.21 -18.61 18.57 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.259 1.306 . . . . 0.0 111.681 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -68.9 -37.53 79.04 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.925 -1.11 . . . . 0.0 111.333 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.8 -44.67 12.28 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 118.508 -1.277 . . . . 0.0 110.664 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . 0.507 HH21 ' NH2' ' S' ' 15' ' ' ARG . 54.5 ttm-85 -51.7 -43.37 62.75 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.059 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -72.7 -35.13 67.56 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.51 48.4 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.389 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.14 -57.76 3.57 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 118.643 -1.223 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.26 -48.49 32.98 Favored Glycine 0 N--CA 1.484 1.886 0 C-N-CA 119.237 -1.458 . . . . 0.0 110.115 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . 0.4 ' O ' HG22 ' R' ' 57' ' ' ILE . 92.8 m -64.76 -44.42 90.14 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.677 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -65.01 -16.1 63.06 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.511 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.58 -33.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-O 121.832 0.825 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -61.52 -59.28 5.47 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.548 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' R' ' 61' ' ' LEU . 0.4 OUTLIER -46.88 -68.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.117 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' R' ' 57' ' ' ILE . 0.0 OUTLIER -36.86 -59.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 119.443 -0.903 . . . . 0.0 112.734 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -62.69 -34.74 77.76 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.643 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -89.74 -11.18 43.0 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.411 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . 0.809 ' O ' HD12 ' R' ' 61' ' ' LEU . 0.1 OUTLIER -81.79 -36.17 28.74 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 118.108 -1.437 . . . . 0.0 110.2 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' R' ' 64' ' ' GLY . 6.4 tp -84.17 -26.44 28.8 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.144 -1.822 . . . . 0.0 110.231 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.48 2.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.139 -1.024 . . . . 0.0 110.777 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -72.23 -13.41 76.67 Favored Glycine 0 N--CA 1.484 1.855 0 C-N-CA 119.126 -1.512 . . . . 0.0 109.544 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.68 -19.97 4.77 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.171 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . 0.528 ' O ' ' N ' ' R' ' 68' ' ' GLN . 4.7 tpp -100.77 44.2 1.02 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.679 0.752 . . . . 0.0 109.03 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.667 -1.151 . . . . 0.0 112.829 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' R' ' 66' ' ' MET . 4.8 tt0 -63.65 -57.59 9.59 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.58 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -80.26 12.8 2.68 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.513 -0.875 . . . . 0.0 111.57 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 48.94 42.06 19.86 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.34 65.78 2.3 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -166.41 -21.95 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.921 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -118.35 -58.79 1.95 Allowed 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' R' ' 76' ' ' GLY . 24.9 mt-10 -70.61 -68.36 0.43 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.401 -0.919 . . . . 0.0 111.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.45 23.28 0.12 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.77 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' R' ' 74' ' ' GLU . . . -89.72 -21.17 40.95 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.447 -1.359 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' R' ' 76' ' ' GLY . . . 60.4 12.93 3.72 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.272 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.02 113.78 0.39 Allowed Glycine 0 N--CA 1.486 1.979 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.229 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.503 ' H ' HD12 ' R' ' 79' ' ' ILE . 2.9 mp -98.51 -27.28 3.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.606 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.95 5.33 19.46 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.066 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 23.2 p -100.28 -44.13 6.04 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.02 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.86 -16.55 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . 0.41 ' O ' ' C ' ' R' ' 84' ' ' ARG . 0.2 OUTLIER -124.67 23.53 8.01 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.636 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' R' ' 83' ' ' THR . 0.2 OUTLIER -35.71 -66.3 0.21 Allowed 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.346 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.39 95.43 0.13 Allowed Glycine 0 N--CA 1.493 2.484 0 C-N-CA 118.742 -1.694 . . . . 0.0 111.257 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 91.5 p -89.55 14.46 11.45 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.58 151.49 45.9 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.237 -0.985 . . . . 0.0 111.335 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.95 177.45 7.83 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.904 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.72 -12.63 60.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.486 -1.286 . . . . 0.0 111.766 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -100.84 -39.19 7.92 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.454 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 62.94 2.43 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.5 69.63 13.81 Favored Pre-proline 0 N--CA 1.491 1.603 0 C-N-CA 119.006 -1.078 . . . . 0.0 112.655 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' R' ' 95' ' ' GLU . 2.7 Cg_exo -64.86 -14.88 47.48 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.714 1.609 . . . . 0.0 110.437 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.16 -7.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' R' ' 93' ' ' PRO . 65.8 mt-10 -84.09 -27.91 27.91 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.14 -1.024 . . . . 0.0 108.965 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.639 HD22 HD12 ' R' ' 100' ' ' LEU . 0.9 OUTLIER -72.14 -44.59 62.89 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.279 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -50.96 -24.53 3.73 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.776 -0.769 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.75 -65.63 0.64 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.019 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.497 ' HE1' ' CB ' ' S' ' 32' ' ' ASN . 35.2 t90 -65.17 -56.17 14.41 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 118.078 -1.449 . . . . 0.0 111.239 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.639 HD12 HD22 ' R' ' 96' ' ' LEU . 0.5 OUTLIER -39.36 -44.2 1.29 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.317 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.97 -33.76 76.07 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 118.296 -1.361 . . . . 0.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.51 -41.37 84.52 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.424 -0.91 . . . . 0.0 113.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.449 ' O ' ' OG ' ' R' ' 107' ' ' SER . 2.0 p -82.78 -41.99 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' R' ' 107' ' ' SER . 1.1 mp -79.23 -48.7 13.72 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 117.977 -1.489 . . . . 0.0 112.551 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.16 -43.56 87.49 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.904 -0.718 . . . . 0.0 112.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -74.47 -24.92 59.11 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' R' ' 103' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 116.424 -1.751 . . . . 0.0 111.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.65 160.34 2.84 Favored Pre-proline 0 C--N 1.303 -1.447 0 C-N-CA 118.684 -1.206 . . . . 0.0 109.55 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -52.44 117.13 3.34 Favored 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.19 1.26 . . . . 0.0 111.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.71 -25.91 0.06 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.236 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -72.53 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.129 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.76 126.57 4.49 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.175 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.95 147.95 23.14 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.852 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.19 64.7 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.973 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.22 13.12 0.3 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.787 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -154.04 1.91 0.24 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.25 -0.98 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.76 49.84 0.86 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.085 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' S' ' 15' ' ' ARG . 0.0 OUTLIER -84.26 100.24 11.09 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.789 -1.164 . . . . 0.0 110.974 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -160.6 58.62 0.33 Allowed 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.778 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -94.85 -28.01 15.44 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.6 mt-10 -99.21 -44.97 6.05 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.938 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.411 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 61.2 t-105 -44.92 -15.91 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.786 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' S' ' 22' ' ' PHE . 19.5 mt -114.08 -70.29 0.81 Allowed 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.578 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' S' ' 20' ' ' LEU . 8.2 ttt180 -34.07 -30.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' S' ' 20' ' ' LEU . 66.5 m-85 -101.19 -44.98 5.51 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.31 -18.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 117.13 -1.828 . . . . 0.0 109.655 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -33.23 73.71 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.62 -36.27 80.5 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.545 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' S' ' 26' ' ' LEU . 3.2 tp -48.72 -43.88 37.76 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.484 -1.287 . . . . 0.0 109.551 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.54 -44.7 77.01 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . 0.728 HD22 ' N ' ' S' ' 28' ' ' ASN . 1.0 OUTLIER -48.96 -53.96 17.58 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.861 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' S' ' 30' ' ' TYR . . . -49.36 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.133 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.73 ' C ' ' O ' ' S' ' 29' ' ' ALA . 23.7 m-85 -12.93 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.325 -1.35 . . . . 0.0 111.279 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' S' ' 29' ' ' ALA . 31.0 tt0 -69.19 -39.22 78.82 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' S' ' 29' ' ' ALA . 6.7 m-80 -100.77 -19.3 16.06 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.951 ' O ' ' N ' ' S' ' 35' ' ' HIS . 32.0 t0 -104.37 15.64 27.81 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 1.032 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 16.03 29.05 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.569 -179.443 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.951 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.7 OUTLIER 9.85 12.67 0.0 OUTLIER 'General case' 0 C--O 1.182 -2.465 0 C-N-CA 129.884 3.274 . . . . 0.0 116.708 -178.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.694 ' N ' ' O ' ' S' ' 34' ' ' LEU . 1.9 mm? -73.05 -51.54 6.06 Favored Pre-proline 0 C--N 1.283 -2.288 0 C-N-CA 115.493 -2.483 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 4.9 Cg_exo -59.17 -54.44 2.66 Favored 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 120.939 1.092 . . . . 0.0 114.802 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.626 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -79.15 -44.72 21.4 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.329 -1.349 . . . . 0.0 111.801 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.569 ' HB3' ' O ' ' S' ' 35' ' ' HIS . 46.3 tp -50.46 -36.0 31.51 Favored 'General case' 0 N--CA 1.516 2.845 0 C-N-CA 116.609 -2.036 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' S' ' 41' ' ' LEU . 0.6 OUTLIER -59.65 -53.1 61.96 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.628 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' S' ' 41' ' ' LEU . 0.2 OUTLIER -29.3 -45.29 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.64 179.779 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . 0.446 ' C ' ' H ' ' S' ' 44' ' ' THR . 58.9 mmm -82.64 40.91 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.871 -1.132 . . . . 0.0 111.546 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' S' ' 40' ' ' ASN . 1.0 OUTLIER -68.16 11.17 0.17 Allowed 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.153 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.446 ' H ' ' C ' ' S' ' 42' ' ' MET . 20.1 p -52.09 152.49 5.65 Favored Pre-proline 0 N--CA 1.495 1.782 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -58.49 -40.59 73.14 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 121.068 1.179 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -35.9 80.1 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.674 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.43 -58.39 7.8 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . 0.405 ' CZ ' HH22 ' R' ' 15' ' ' ARG . 4.9 mtm180 -52.09 -47.82 65.04 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.017 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.81 -22.84 64.56 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.678 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.32 -12.19 24.79 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.023 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.596 ' C ' HD13 ' S' ' 51' ' ' LEU . 1.9 tm? -81.37 -69.93 0.57 Allowed 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.592 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.73 -38.99 10.35 Favored Glycine 0 N--CA 1.483 1.807 0 C-N-CA 119.487 -1.34 . . . . 0.0 110.059 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -66.66 -48.62 68.79 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -50.86 -20.97 1.47 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' R' ' 22' ' ' PHE . 41.5 t -88.35 -32.81 6.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.239 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.44 -27.81 66.51 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.425 -0.91 . . . . 0.0 112.982 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -72.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 49.3 t -48.66 -63.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -46.43 -68.41 0.2 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.419 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' S' ' 61' ' ' LEU . 55.0 tt0 -48.25 -50.5 29.44 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.757 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' S' ' 60' ' ' GLU . 3.6 mt -42.76 -49.63 5.68 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.52 -39.38 76.41 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.869 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' S' ' 65' ' ' GLU . 0.4 OUTLIER -81.58 -3.23 52.74 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.076 -1.05 . . . . 0.0 109.108 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.17 -1.19 3.83 Favored Glycine 0 N--CA 1.489 2.206 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' S' ' 63' ' ' ARG . 24.8 tt0 -80.67 -52.72 7.24 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . 0.455 ' O ' ' N ' ' S' ' 68' ' ' GLN . 2.1 tpt -71.47 -36.46 71.18 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m -62.48 79.98 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.485 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' S' ' 66' ' ' MET . 11.8 tt0 -64.45 -54.42 32.92 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.555 -0.858 . . . . 0.0 109.805 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -110.69 -3.13 15.99 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.249 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -95.21 12.36 29.13 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.264 -0.975 . . . . 0.0 111.198 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.17 129.82 40.42 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 49.3 mttt 49.25 18.68 0.26 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.343 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.56 -94.96 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.031 -1.067 . . . . 0.0 109.116 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' S' ' 76' ' ' GLY . 15.1 pt-20 -98.84 -32.63 11.25 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.544 -0.862 . . . . 0.0 109.375 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' S' ' 75' ' ' LEU . 18.3 mt -59.19 -3.84 0.44 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' S' ' 74' ' ' GLU . . . -157.6 43.17 0.51 Allowed Glycine 0 N--CA 1.485 1.912 0 C-N-CA 119.086 -1.53 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.62 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.521 -0.871 . . . . 0.0 110.47 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' S' ' 76' ' ' GLY . . . 126.92 123.15 2.62 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.406 HD13 HG21 ' S' ' 79' ' ' ILE . 0.7 OUTLIER -117.68 -5.75 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -3.41 0.6 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.071 -1.052 . . . . 0.0 111.584 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 1.1 t -126.06 -20.69 4.48 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 119.671 -0.812 . . . . 0.0 112.7 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . . . . . . . . . 86.4 mt -82.96 -72.07 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.662 ' O ' HG22 ' S' ' 83' ' ' THR . 52.6 m -107.33 24.58 12.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' S' ' 83' ' ' THR . 2.2 ptt85 -9.37 -68.47 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.293 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.9 -118.77 0.84 Allowed Glycine 0 N--CA 1.491 2.353 0 C-N-CA 118.933 -1.603 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 1.1 p 67.26 147.02 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.62 116.56 30.08 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.704 -0.799 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.46 -171.57 3.88 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.951 HD13 ' H ' ' S' ' 89' ' ' LEU . 0.0 OUTLIER -70.2 -79.34 0.06 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 118.471 -1.292 . . . . 0.0 108.862 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . 0.621 ' H ' ' CD2' ' S' ' 89' ' ' LEU . 32.8 mmtm -95.2 -78.57 0.45 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.551 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.24 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.144 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.07 159.33 47.61 Favored Pre-proline 0 N--CA 1.487 1.392 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.95 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -61.9 -168.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.984 1.123 . . . . 0.0 111.376 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 1.8 p -111.79 -19.08 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.182 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.4 4.18 36.62 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 118.453 -1.299 . . . . 0.0 109.431 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tt -82.82 -56.73 3.65 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -29.76 4.97 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.926 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -55.31 -64.56 0.8 Allowed 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.103 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' S' ' 100' ' ' LEU . 33.6 t90 -63.82 -65.05 0.73 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.552 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.1 tp -26.45 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 114.496 -1.229 . . . . 0.0 113.843 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' S' ' 99' ' ' TRP . 4.0 mt-10 -63.39 -51.4 66.0 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.427 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' S' ' 99' ' ' TRP . 45.2 mt-10 -63.87 -20.2 65.65 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 1.3 p -96.84 -49.48 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.391 -1.324 . . . . 0.0 112.723 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' S' ' 106' ' ' LYS . 95.9 mt -84.39 -69.42 0.65 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.874 -1.131 . . . . 0.0 111.885 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 tp -44.91 -23.21 0.12 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.061 -1.056 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' S' ' 104' ' ' LEU . 0.4 OUTLIER -122.6 127.53 49.51 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.884 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 116.387 -1.768 . . . . 0.0 111.481 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t 48.33 68.2 3.75 Favored Pre-proline 0 N--CA 1.488 1.442 0 C-N-CA 119.472 -0.891 . . . . 0.0 111.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' R' ' 7' ' ' TYR . 2.1 Cg_endo -65.7 112.55 2.22 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 121.677 1.585 . . . . 0.0 111.32 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . 0.406 ' CB ' ' O ' ' R' ' 6' ' ' PRO . 1.5 t80 68.99 177.64 0.26 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m 52.86 72.71 0.4 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.62 132.62 14.28 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.321 -0.951 . . . . 0.0 110.789 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.83 143.07 2.25 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.718 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 1.9 ttt -159.76 -11.17 0.06 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.993 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . 55.83 -172.04 0.07 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.766 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 50.79 25.36 2.1 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.32 92.65 1.06 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -157.67 28.24 0.28 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.289 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' R' ' 18' ' ' GLU . 4.0 m-70 -145.04 -45.35 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.399 -0.921 . . . . 0.0 111.426 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -72.61 25.13 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 119.392 -0.923 . . . . 0.0 111.581 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' R' ' 16' ' ' HIS . 8.3 pt-20 -166.72 -34.03 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.703 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -52.18 -26.83 12.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.98 -53.92 2.65 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -38.8 -48.73 1.56 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.727 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.94 -49.36 9.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.203 -0.999 . . . . 0.0 112.326 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.19 -30.91 13.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.747 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -29.38 70.0 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.284 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.26 -26.61 58.96 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.646 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.58 -69.61 0.11 Allowed 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.914 -1.114 . . . . 0.0 111.265 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -21.72 11.49 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.027 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.54 56.09 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.501 -1.679 . . . . 0.0 108.704 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -55.41 -49.35 72.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.926 -1.509 . . . . 0.0 109.04 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.8 m-85 -46.73 -54.96 8.61 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 117.855 -1.538 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' R' ' 30' ' ' TYR . 42.5 tt0 -4.19 -56.77 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 126.852 2.595 . . . . 0.0 112.574 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.9 t-20 -109.02 -93.06 0.42 Allowed 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.316 -1.754 . . . . 0.0 109.035 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.467 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 66.6 m-20 -134.21 17.41 3.75 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.15 7.08 33.45 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 116.66 -2.016 . . . . 0.0 115.958 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' R' ' 39' ' ' LEU . 0.0 OUTLIER -69.86 -69.98 0.31 Allowed 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 117.674 -1.61 . . . . 0.0 110.76 179.534 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.508 ' H ' ' CG ' ' R' ' 35' ' ' HIS . 2.8 mm? -28.18 -64.73 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -57.16 -68.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 120.499 0.799 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' S' ' 96' ' ' LEU . 0.4 OUTLIER -58.28 -64.18 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.267 -0.973 . . . . 0.0 110.11 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' R' ' 35' ' ' HIS . 29.4 tp -27.45 -40.27 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 124.419 1.074 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' R' ' 38' ' ' LEU . 1.9 t30 -63.11 -52.2 63.52 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.581 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' R' ' 38' ' ' LEU . 5.1 tp -55.11 -8.58 0.3 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.32 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . 0.522 ' O ' ' NE ' ' S' ' 54' ' ' ARG . 3.7 mtt -104.47 -53.78 2.65 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.544 -0.863 . . . . 0.0 111.701 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.464 HD23 ' OE1' ' R' ' 47' ' ' GLU . 8.5 mt -77.69 -55.99 4.89 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.807 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' R' ' 43' ' ' LEU . 0.4 OUTLIER 75.18 152.87 0.14 Allowed Pre-proline 0 N--CA 1.495 1.804 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.669 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' R' ' 48' ' ' ARG . 6.0 Cg_exo -55.14 -55.46 3.15 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.331 1.354 . . . . 0.0 112.49 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' R' ' 45' ' ' PRO . 15.8 t70 -40.04 -33.08 0.2 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.044 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.464 ' OE1' HD23 ' R' ' 43' ' ' LEU . 31.8 tt0 -94.68 -24.32 17.2 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.682 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' R' ' 45' ' ' PRO . 44.6 ttt-85 -52.04 -45.3 64.62 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -45.25 -21.82 0.1 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.934 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' R' ' 48' ' ' ARG . . . -91.01 -46.24 8.26 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.572 -0.851 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.428 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 4.9 tt -43.08 -49.04 6.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.484 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.69 -56.76 14.36 Favored Glycine 0 N--CA 1.486 1.986 0 C-N-CA 119.117 -1.516 . . . . 0.0 109.828 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -43.61 -37.02 2.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -65.83 -39.9 91.28 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.184 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' R' ' 59' ' ' GLU . 0.3 OUTLIER -62.56 -22.35 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 119.08 -1.048 . . . . 0.0 110.099 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -62.64 -64.12 1.02 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.639 HG23 ' H ' ' R' ' 58' ' ' VAL . 0.8 OUTLIER -50.81 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.594 -1.242 . . . . 0.0 112.444 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.639 ' H ' HG23 ' R' ' 57' ' ' ILE . 0.4 OUTLIER -40.48 -47.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.607 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' R' ' 62' ' ' LEU . 5.3 mm-40 -63.1 -64.4 0.92 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.593 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' R' ' 59' ' ' GLU . 3.4 tp10 -35.62 -32.49 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.319 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' R' ' 59' ' ' GLU . 83.4 mt -75.82 -42.48 49.67 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.169 -1.012 . . . . 0.0 110.171 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' R' ' 59' ' ' GLU . 3.7 tt -44.23 -32.21 1.21 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.218 -0.993 . . . . 0.0 110.422 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -45.09 -66.4 0.4 Allowed 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.94 -88.61 1.38 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -170.13 -43.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.55 12.04 1.01 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.707 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t 44.49 69.53 0.42 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 119.481 -0.887 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.72 -31.93 73.38 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -84.26 -62.69 1.5 Allowed 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' R' ' 72' ' ' LYS . 41.7 mt-10 -89.98 42.16 1.08 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -46.95 95.38 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.249 -0.98 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' R' ' 70' ' ' GLU . 49.0 mttt 50.48 83.21 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.511 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -37.3 21.56 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.344 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 55.43 39.96 31.24 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.189 -1.005 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -69.56 0.31 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.18 64.54 0.08 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 119.867 -1.158 . . . . 0.0 110.498 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.53 -20.46 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.75 -14.36 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . 0.501 ' O ' HG22 ' R' ' 83' ' ' THR . 1.0 OUTLIER -94.67 -21.95 5.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.367 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.7 -9.37 0.12 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . 0.445 ' H ' ' C ' ' R' ' 79' ' ' ILE . 0.7 OUTLIER -103.56 -71.86 0.72 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.107 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.423 ' H ' HG23 ' R' ' 82' ' ' ILE . 1.7 pp -47.33 -22.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.262 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . 0.501 HG22 ' O ' ' R' ' 79' ' ' ILE . 14.6 t -86.7 21.93 2.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' R' ' 83' ' ' THR . 7.9 ttt180 -44.28 -94.03 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.47 -77.24 1.24 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.288 -1.434 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 9.4 m 47.52 -103.2 0.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.366 -0.934 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -55.68 168.92 0.37 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.45 -0.9 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 1.6 p -131.29 -31.67 1.62 Allowed 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.255 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.517 ' N ' HD23 ' R' ' 89' ' ' LEU . 1.0 OUTLIER -90.22 -57.1 2.96 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.097 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.75 -48.39 81.35 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.368 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.17 -64.09 0.89 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . 45.58 72.08 1.35 Allowed Pre-proline 0 C--N 1.304 -1.395 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.52 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -64.01 -15.28 48.32 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 121.263 1.308 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.98 -12.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.339 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.48 -10.47 46.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -93.04 -43.62 8.8 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.101 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -51.47 -17.52 0.82 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.562 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' R' ' 96' ' ' LEU . 10.7 mm100 -54.88 -59.62 4.48 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.613 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 35.4 t90 -86.99 -55.65 3.73 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.612 -1.235 . . . . 0.0 111.846 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' R' ' 100' ' ' LEU . 12.6 tp -40.66 -31.62 0.17 Allowed 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.54 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.33 -32.22 72.19 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -80.2 -24.62 40.14 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.867 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -34.85 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.498 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.57 -55.61 3.43 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' R' ' 107' ' ' SER . 1.3 tp -73.02 4.11 4.65 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 49.42 -91.56 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.456 -0.897 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . 0.495 ' N ' ' O ' ' R' ' 105' ' ' LEU . 31.2 t . . . . . 0 C--N 1.302 -1.463 0 CA-C-O 116.302 -1.809 . . . . 0.0 110.671 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 45.66 69.01 2.83 Favored Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.9 120.14 7.27 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 121.59 1.527 . . . . 0.0 111.333 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -152.95 147.21 25.69 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 5.9 t 57.26 44.69 21.59 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 119.283 -0.967 . . . . 0.0 110.701 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' S' ' 10' ' ' ALA . . . -60.43 -164.54 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' S' ' 9' ' ' ALA . . . 67.41 -2.12 1.37 Allowed 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . 0.405 ' H ' ' C ' ' S' ' 9' ' ' ALA . 2.9 ptp -169.07 -175.39 2.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.358 -0.937 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . 56.97 -171.6 0.09 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 55.56 41.18 30.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -142.65 -45.63 0.32 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.723 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . 0.507 ' C ' ' H ' ' S' ' 17' ' ' GLN . 76.9 mtt180 -65.8 -86.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.585 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . 0.427 ' CB ' ' O ' ' S' ' 15' ' ' ARG . 1.0 OUTLIER 69.78 -18.98 0.2 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.616 -0.833 . . . . 0.0 111.488 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' S' ' 15' ' ' ARG . 1.7 mt-30 -61.54 -41.46 97.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.33 -43.2 74.17 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.329 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.428 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 66.6 t-105 -53.99 -24.79 17.99 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.232 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.19 -23.33 18.6 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.041 -1.064 . . . . 0.0 111.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.67 -62.39 1.65 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.786 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -45.19 -52.5 9.32 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.432 HG23 ' N ' ' S' ' 24' ' ' ASP . 35.9 m -59.92 -39.28 79.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.958 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.432 ' N ' HG23 ' S' ' 23' ' ' VAL . 0.1 OUTLIER -52.57 -28.22 20.04 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.86 -1.136 . . . . 0.0 110.781 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.56 -47.48 13.03 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.666 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mp -42.03 -62.5 0.91 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.717 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.54 -63.72 0.89 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.786 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . 0.65 HD22 ' N ' ' S' ' 28' ' ' ASN . 0.8 OUTLIER -45.54 -48.42 14.3 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.613 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -78.09 -33.38 50.76 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.627 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.863 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.3 OUTLIER -50.29 -82.6 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.954 -179.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.653 ' C ' ' H ' ' S' ' 33' ' ' ASP . 22.6 tt0 -17.75 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.778 0 O-C-N 125.597 1.81 . . . . 0.0 110.825 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.823 ' O ' ' N ' ' S' ' 34' ' ' LEU . 17.1 m120 -71.34 32.87 0.05 OUTLIER 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.107 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.863 ' N ' ' O ' ' S' ' 30' ' ' TYR . 0.4 OUTLIER 18.76 26.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 124.57 1.169 . . . . 0.0 113.405 -178.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.823 ' N ' ' O ' ' S' ' 32' ' ' ASN . 6.6 mt -85.14 9.49 14.79 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.462 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -80.25 -19.65 46.35 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.44 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.4 mt -46.25 -52.1 30.12 Favored Pre-proline 0 N--CA 1.495 1.808 0 C-N-CA 118.459 -1.297 . . . . 0.0 113.999 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.2 Cg_exo -56.28 -66.02 0.1 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 120.442 0.761 . . . . 0.0 111.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.669 ' C ' HD12 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -56.26 -38.83 71.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 24.9 tp -53.68 -38.99 64.74 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.121 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -20.66 62.18 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.85 -58.3 6.85 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.997 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . 0.424 ' O ' ' C ' ' S' ' 43' ' ' LEU . 7.1 mmt -87.56 43.24 1.09 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.78 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' S' ' 44' ' ' THR . 0.5 OUTLIER -38.06 -54.52 1.33 Allowed 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.123 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.478 ' O ' ' O ' ' S' ' 43' ' ' LEU . 58.8 m 39.95 98.16 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -52.59 -39.23 75.96 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.374 0.716 . . . . 0.0 111.623 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' S' ' 46' ' ' ASP . 0.0 OUTLIER -58.04 -21.93 47.62 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.964 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' OE2' ' R' ' 47' ' ' GLU . 9.1 tp10 -93.11 -35.41 13.21 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -59.16 -56.45 22.0 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.72 -23.85 65.31 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.274 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.62 -22.93 23.23 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.34 -59.22 4.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.977 -1.089 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.1 82.14 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -12.9 4.86 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.042 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' O ' ' R' ' 42' ' ' MET . 2.3 tpp180 -90.68 -63.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.671 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -17.68 3.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.668 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' S' ' 57' ' ' ILE . 29.6 ttt85 -64.48 -59.07 4.76 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.303 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.498 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.7 OUTLIER -41.07 -46.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.498 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 97.1 t -51.21 -64.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.522 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' S' ' 59' ' ' GLU . 10.6 tt0 -66.76 -12.95 60.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.868 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -95.16 -19.85 19.73 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.874 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.667 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.5 OUTLIER -86.77 -30.45 21.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.587 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 tp -88.57 -35.9 16.64 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.616 -1.234 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' S' ' 68' ' ' GLN . 7.4 ttt180 -80.01 13.55 2.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.587 ' C ' ' H ' ' S' ' 66' ' ' MET . . . -48.68 -59.76 6.42 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.543 -1.313 . . . . 0.0 110.339 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' S' ' 65' ' ' GLU . 17.7 tt0 54.96 -2.05 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.721 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . 0.587 ' H ' ' C ' ' S' ' 64' ' ' GLY . 1.7 mtp 53.05 74.5 0.29 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.23 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' S' ' 66' ' ' MET . 0.6 OUTLIER 162.06 -65.27 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.869 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' S' ' 63' ' ' ARG . 2.8 tt0 -72.01 -20.57 61.69 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.084 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . 0.599 HH11 HD11 ' S' ' 79' ' ' ILE . 28.8 ttt180 -52.0 -7.3 0.05 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.256 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' S' ' 68' ' ' GLN . 2.4 tt0 -42.65 -21.57 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' S' ' 69' ' ' ARG . 5.9 mt -75.77 66.54 2.07 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' S' ' 73' ' ' ASN . 16.2 pttp -141.75 -39.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' S' ' 72' ' ' LYS . 12.6 t30 -105.25 -23.66 12.84 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -56.03 -57.5 11.88 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.461 ' H ' HD23 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -69.2 -9.98 55.54 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.371 -0.931 . . . . 0.0 110.772 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.46 82.88 1.13 Allowed Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.352 -1.404 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.41 -29.93 0.09 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.346 -0.941 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 140.14 0.06 OUTLIER Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . 0.599 HD11 HH11 ' S' ' 69' ' ' ARG . 2.4 tp -68.84 -21.34 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.89 -5.84 33.76 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.825 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 51.5 m -96.77 -69.77 0.74 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.434 HD13 HG21 ' S' ' 82' ' ' ILE . 8.7 pt -54.31 -11.79 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 119.437 -0.905 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 37.3 m -96.72 -73.27 0.61 Allowed 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' S' ' 86' ' ' SER . 7.9 ttt180 -50.1 -56.77 9.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.376 -0.929 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 46.91 -92.51 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 C-N-CA 119.266 -1.445 . . . . 0.0 110.345 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . 0.522 ' N ' ' O ' ' S' ' 84' ' ' ARG . 0.7 OUTLIER -146.87 -9.06 0.46 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.797 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.77 133.7 20.21 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.75 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . 0.42 ' C ' ' H ' ' S' ' 90' ' ' LYS . 19.7 p -78.48 -171.57 2.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.26 22.88 0.3 Allowed 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.744 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' S' ' 88' ' ' SER . 5.8 mttt -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.22 -77.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.309 -0.956 . . . . 0.0 110.501 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . 42.17 69.24 2.24 Favored Pre-proline 0 N--CA 1.488 1.433 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.813 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -64.98 -164.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.566 1.511 . . . . 0.0 111.802 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 t -110.46 -12.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.063 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.08 -11.01 39.97 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.852 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' R' ' 38' ' ' LEU . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -39.26 91.06 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.418 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -45.81 -70.19 0.11 Allowed 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 119.274 -0.97 . . . . 0.0 111.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.542 ' O ' ' N ' ' S' ' 101' ' ' GLU . 31.7 t90 -64.22 -59.94 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.94 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.584 HD11 HD12 ' S' ' 104' ' ' LEU . 13.1 tp -32.01 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.757 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' S' ' 99' ' ' TRP . 2.6 mt-10 -74.46 -41.72 60.32 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.9 mm-40 -70.84 -29.8 66.04 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.825 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.407 ' H ' HG12 ' S' ' 103' ' ' VAL . 0.9 OUTLIER -82.99 -41.55 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 118.448 -1.301 . . . . 0.0 112.001 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . 0.584 HD12 HD11 ' S' ' 100' ' ' LEU . 1.8 mt -96.1 -60.85 1.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 111.51 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . 0.482 HD22 ' N ' ' S' ' 105' ' ' LEU . 3.8 mm? -73.0 18.05 0.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.439 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' S' ' 104' ' ' LEU . 20.5 tttt -42.64 135.67 2.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.304 -1.373 0 CA-C-O 116.359 -1.781 . . . . 0.0 110.839 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 164.32 39.86 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.427 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -57.13 118.38 5.23 Favored 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.365 1.377 . . . . 0.0 111.459 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -73.32 -52.4 14.03 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.713 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 53.2 p -58.96 175.49 0.28 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.301 -0.96 . . . . 0.0 110.555 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.8 -69.34 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.269 -0.973 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.81 125.73 5.34 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' R' ' 12' ' ' ALA . 20.2 ttm 60.96 -140.81 0.52 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . 0.423 ' H ' ' CG ' ' R' ' 11' ' ' MET . . . -55.25 -172.91 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -166.17 41.0 0.06 Allowed 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.95 108.03 3.58 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -129.53 -55.21 1.16 Allowed 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -148.5 43.37 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.462 -0.895 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.77 -21.0 18.41 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' R' ' 18' ' ' GLU . 1.8 pm0 -112.33 -32.23 6.58 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.435 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 67.9 t-105 -48.19 -23.22 0.8 Allowed 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.61 -64.33 1.3 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.725 -0.79 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -40.97 -44.78 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.552 ' CD2' HG12 ' S' ' 55' ' ' VAL . 39.6 t80 -91.32 -47.08 7.68 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.549 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.731 HG12 ' OH ' ' S' ' 30' ' ' TYR . 10.7 t -51.6 -15.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 118.148 -1.421 . . . . 0.0 109.686 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' R' ' 22' ' ' PHE . 0.4 OUTLIER -85.26 -23.37 28.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.245 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.86 -19.81 36.78 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.327 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . 0.722 ' O ' HD12 ' R' ' 26' ' ' LEU . 0.1 OUTLIER -65.02 -40.3 94.67 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.512 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.11 57.67 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.737 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -63.42 -44.78 93.63 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.012 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' R' ' 30' ' ' TYR . . . -64.44 -55.9 17.77 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.742 -1.183 . . . . 0.0 108.405 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' R' ' 32' ' ' ASN . 3.5 m-85 -43.19 -53.67 4.92 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 118.756 -1.177 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' R' ' 30' ' ' TYR . 5.1 tt0 -5.61 -61.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 126.963 2.665 . . . . 0.0 111.295 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' R' ' 30' ' ' TYR . 2.0 t-20 -102.9 -92.3 0.34 Allowed 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 117.111 -1.836 . . . . 0.0 108.395 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.43 ' C ' HD22 ' R' ' 34' ' ' LEU . 48.4 m-20 -132.51 15.55 4.46 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.451 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.691 HD22 ' N ' ' R' ' 34' ' ' LEU . 3.2 mm? -86.98 9.09 20.6 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 116.578 -2.049 . . . . 0.0 116.077 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' H ' ' R' ' 36' ' ' LEU . 12.2 p-80 -57.42 -50.86 71.66 Favored 'General case' 0 C--N 1.277 -2.56 0 C-N-CA 117.472 -1.691 . . . . 0.0 110.213 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.523 ' H ' ' CD2' ' R' ' 35' ' ' HIS . 3.7 mt -37.68 -65.44 0.36 Allowed Pre-proline 0 N--CA 1.5 2.04 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' R' ' 36' ' ' LEU . 2.9 Cg_endo -43.99 -85.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 120.917 1.078 . . . . 0.0 112.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.438 ' HG ' HD21 ' S' ' 96' ' ' LEU . 0.8 OUTLIER -44.89 -45.98 10.61 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.474 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' R' ' 35' ' ' HIS . 64.1 tp -53.19 -34.11 55.57 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.699 -1.2 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.01 -45.04 82.99 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.727 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' R' ' 43' ' ' LEU . 4.3 mm? -45.0 -32.03 1.51 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.182 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 4.2 mtt -76.46 35.55 0.15 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.301 -0.959 . . . . 0.0 109.869 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' R' ' 41' ' ' LEU . 3.6 mt -80.8 5.95 14.46 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.539 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.09 160.35 0.35 Allowed Pre-proline 0 C--N 1.303 -1.415 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.834 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -53.69 -65.57 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 C-N-CA 121.281 1.321 . . . . 0.0 111.751 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.28 -63.79 1.02 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.366 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -46.58 -47.02 19.88 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.66 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' S' ' 9' ' ' ALA . 11.8 ttp180 -51.29 -40.19 58.41 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.253 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.23 -2.0 47.03 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.54 -40.16 14.51 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.704 HD13 ' CZ3' ' S' ' 19' ' ' TRP . 2.1 tt -51.54 -39.74 58.32 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.137 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 -38.92 95.59 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -65.69 -24.01 66.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.211 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -76.45 -31.36 57.78 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.371 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' S' ' 22' ' ' PHE . 9.6 t -77.95 -23.81 13.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 119.213 -0.995 . . . . 0.0 109.526 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' R' ' 57' ' ' ILE . 0.1 OUTLIER -59.06 -67.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.406 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.5 OUTLIER -38.6 -75.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.861 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' R' ' 57' ' ' ILE . 84.5 t -35.84 -63.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' R' ' 62' ' ' LEU . 4.5 tp10 -52.95 -63.36 1.17 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' R' ' 59' ' ' GLU . 28.7 mt-10 -37.56 -46.13 0.81 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.381 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.25 -39.88 84.25 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' R' ' 64' ' ' GLY . 2.7 tt -47.58 -68.79 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 12.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -60.25 -70.52 0.99 Allowed Glycine 0 N--CA 1.489 2.228 0 C-N-CA 119.344 -1.408 . . . . 0.0 110.624 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -79.38 39.31 0.39 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.403 -0.919 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 10.3 tpt -81.09 -64.09 1.26 Allowed 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . 0.499 ' OG ' ' N ' ' R' ' 68' ' ' GLN . 14.1 t -177.96 -104.69 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.714 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . 0.499 ' N ' ' OG ' ' R' ' 67' ' ' SER . 4.3 tt0 -75.08 -22.82 58.07 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -73.06 22.9 0.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.54 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' R' ' 68' ' ' GLN . 57.8 mt-10 -79.9 39.15 0.42 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.158 -1.017 . . . . 0.0 110.576 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tp -76.18 -31.66 58.62 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -90.13 27.68 1.57 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.444 -0.903 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.28 -75.67 0.47 Allowed 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.352 -0.939 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -164.72 24.59 0.06 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' R' ' 70' ' ' GLU . 1.1 mt -82.59 -51.94 7.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.1 96.32 0.19 Allowed Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.324 -1.417 . . . . 0.0 110.276 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.68 37.49 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.776 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.36 30.16 10.31 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pt -74.41 9.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.193 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -36.88 57.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.816 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.13 -30.55 63.69 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mt -84.79 -36.85 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 97.9 m -73.16 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -100.25 -88.81 0.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.494 -0.882 . . . . 0.0 111.199 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.9 -35.05 4.63 Favored Glycine 0 N--CA 1.492 2.376 0 C-N-CA 119.463 -1.351 . . . . 0.0 109.733 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.19 132.98 52.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.197 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -76.36 39.88 0.21 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.434 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -73.97 -151.45 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 25.4 tp -87.23 -69.03 0.71 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.123 -1.031 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' R' ' 92' ' ' ALA . 67.5 mttt -101.46 -72.53 0.68 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.386 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . 42.89 18.65 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.012 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' R' ' 93' ' ' PRO . . . -80.58 163.63 55.52 Favored Pre-proline 0 N--CA 1.489 1.522 0 C-N-CA 118.906 -1.117 . . . . 0.0 110.538 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' R' ' 92' ' ' ALA . 3.7 Cg_endo -64.41 -27.61 62.81 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 121.584 1.523 . . . . 0.0 111.253 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.65 -15.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.202 -0.999 . . . . 0.0 109.716 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.63 -11.04 46.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.403 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' R' ' 98' ' ' GLN . 20.5 tp -94.73 -42.05 8.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -47.89 -20.87 0.35 Allowed 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.581 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' R' ' 96' ' ' LEU . 3.7 mt-30 -51.38 -54.32 27.75 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.726 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 41.7 t90 -95.2 -52.89 4.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.195 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' R' ' 102' ' ' GLU . 1.9 tp -45.09 -50.67 10.92 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.232 -0.895 . . . . 0.0 113.067 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.56 0.19 0.08 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.253 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' R' ' 100' ' ' LEU . 20.1 mt-10 -110.29 -33.68 6.57 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.469 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 p -95.31 -25.76 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 119.32 -0.952 . . . . 0.0 112.921 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -24.17 27.14 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.778 -1.169 . . . . 0.0 111.488 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.61 -40.41 75.27 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -85.09 48.39 1.56 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.786 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.832 0.348 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' S' ' 7' ' ' TYR . 0.0 OUTLIER -155.05 164.65 20.35 Favored Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 119.411 -0.916 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.32 167.09 2.84 Favored 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.205 1.27 . . . . 0.0 111.255 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' S' ' 5' ' ' SER . 2.9 m-85 -132.46 -7.03 3.3 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -59.55 141.26 55.26 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . 0.412 ' HB3' HH12 ' R' ' 48' ' ' ARG . . . -50.12 123.52 8.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.349 -0.94 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.51 -62.82 1.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.714 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.92 98.68 10.59 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.421 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.71 76.12 2.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.434 -0.906 . . . . 0.0 111.259 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.42 91.77 0.12 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.019 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -97.64 152.42 19.09 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.196 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -91.05 -175.57 4.35 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.546 -0.861 . . . . 0.0 110.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -137.29 19.02 2.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -90.84 -65.18 1.04 Allowed 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.412 ' HB2' HG21 ' R' ' 55' ' ' VAL . 2.2 pt-20 -63.75 -35.12 79.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.124 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.704 ' CZ3' HD13 ' R' ' 51' ' ' LEU . 64.8 t-105 -52.48 -68.21 0.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.495 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -36.8 84.15 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.583 -0.847 . . . . 0.0 112.259 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -50.25 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.144 -1.023 . . . . 0.0 112.002 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.598 ' HB3' HG22 ' R' ' 55' ' ' VAL . 3.2 t80 -57.89 -49.51 76.48 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.825 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.51 HG23 ' O ' ' S' ' 19' ' ' TRP . 40.8 t -41.06 -43.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.508 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.18 -24.41 65.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.353 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.46 -33.95 31.71 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.23 -50.69 49.04 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.833 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' S' ' 27' ' ' LYS . 1.4 pttt -68.76 -26.59 65.3 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.041 -1.064 . . . . 0.0 112.269 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.1 -32.83 71.07 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.801 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -81.05 -27.17 35.83 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.11 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.95 ' O ' ' N ' ' S' ' 33' ' ' ASP . 0.2 OUTLIER -60.43 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.726 -1.19 . . . . 0.0 112.385 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.733 ' C ' ' H ' ' S' ' 33' ' ' ASP . 3.7 pt20 -19.76 -46.46 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.063 0 O-C-N 125.868 1.98 . . . . 0.0 111.943 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.846 ' O ' ' N ' ' S' ' 34' ' ' LEU . 16.4 m120 -78.78 26.91 0.23 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.95 ' N ' ' O ' ' S' ' 30' ' ' TYR 0.259 0.4 OUTLIER 12.56 23.93 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 112.713 -2.04 . . . . 0.0 115.564 -179.025 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.846 ' N ' ' O ' ' S' ' 32' ' ' ASN . 0.4 OUTLIER -102.88 3.72 36.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.445 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' S' ' 30' ' ' TYR . 44.5 p-80 -61.62 22.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.334 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' S' ' 37' ' ' PRO . 4.5 tp -68.44 -38.43 12.77 Favored Pre-proline 0 C--N 1.302 -1.484 0 C-N-CA 118.343 -1.343 . . . . 0.0 113.894 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 4.1 Cg_exo -63.83 -70.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 120.758 0.972 . . . . 0.0 110.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' S' ' 37' ' ' PRO . 0.5 OUTLIER -44.71 -48.0 10.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.696 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.21 -36.42 70.86 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.562 -1.255 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' S' ' 37' ' ' PRO . 20.9 t-20 -74.29 -39.62 62.81 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.018 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.28 -48.34 6.73 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.171 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 42.36 0.48 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.693 -0.803 . . . . 0.0 111.402 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.7 mt -65.3 -81.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 118.882 -1.127 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.512 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 51.23 114.15 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.449 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.41 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -52.88 -23.53 21.28 Favored 'Trans proline' 0 C--N 1.326 -0.607 0 CA-C-N 118.993 0.676 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.76 -51.53 22.28 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 3.5 mm-40 -69.97 -43.77 70.82 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.598 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' S' ' 50' ' ' ALA . 24.6 ttp180 -51.56 -63.43 1.14 Allowed 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.49 -13.08 0.54 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' S' ' 47' ' ' GLU . . . -95.0 -25.97 16.27 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.0 -63.12 1.37 Allowed 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.898 -1.121 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.52 -39.37 37.12 Favored Glycine 0 N--CA 1.486 1.984 0 C-N-CA 119.651 -1.261 . . . . 0.0 110.186 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -58.89 -42.18 88.91 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.386 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -60.4 -60.69 3.41 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.659 -0.817 . . . . 0.0 111.348 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.552 HG12 ' CD2' ' R' ' 22' ' ' PHE . 0.7 OUTLIER -46.6 -28.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 118.809 -1.156 . . . . 0.0 110.574 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . 0.453 ' NH1' HG21 ' S' ' 81' ' ' THR . 5.8 ttt180 -55.88 -63.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.581 -0.847 . . . . 0.0 111.785 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.531 ' CG1' ' N ' ' S' ' 58' ' ' VAL . 0.9 OUTLIER -40.59 -49.1 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.065 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.531 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 61.3 t -55.17 -65.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.209 -0.996 . . . . 0.0 112.125 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 0.21 26.2 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.76 -0.776 . . . . 0.0 113.039 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . 0.607 ' OE1' HD11 ' S' ' 82' ' ' ILE . 0.6 OUTLIER -89.93 -37.96 14.02 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 118.609 -1.236 . . . . 0.0 111.393 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.73 -29.37 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.709 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tp -87.72 -71.18 0.58 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 118.586 -1.246 . . . . 0.0 111.478 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -96.08 25.28 4.92 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.043 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.92 -92.87 2.28 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 119.678 -1.248 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' S' ' 66' ' ' MET . 20.5 tp10 -67.6 -49.52 62.67 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.652 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . 0.459 ' CB ' ' O ' ' S' ' 65' ' ' GLU . 5.9 ttp 72.96 28.98 1.88 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.594 -0.842 . . . . 0.0 110.701 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.51 9.39 1.5 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.69 -64.63 0.89 Allowed 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -93.04 9.97 33.47 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 49.9 61.97 2.9 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' S' ' 73' ' ' ASN . 1.9 tp -103.86 -39.74 6.51 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 13.88 0.39 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' S' ' 71' ' ' LEU . 1.1 m-80 -83.23 22.61 0.97 Allowed 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.802 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.35 34.09 4.38 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.702 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -56.85 7.23 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.91 -62.69 0.02 OUTLIER Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.511 -1.328 . . . . 0.0 110.16 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.15 178.3 7.25 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.606 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.36 -54.02 4.72 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.307 -1.425 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 tp -56.53 -16.19 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.527 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.49 -33.44 63.72 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.376 -0.929 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . 0.453 HG21 ' NH1' ' S' ' 56' ' ' ARG . 0.6 OUTLIER -95.18 -38.56 10.53 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.607 HD11 ' OE1' ' S' ' 60' ' ' GLU . 2.8 mt -77.57 8.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -32.72 71.55 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -56.27 -75.45 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.315 -0.954 . . . . 0.0 110.709 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.99 133.56 11.68 Favored Glycine 0 N--CA 1.488 2.165 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 3.9 p -169.37 -85.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.332 -0.947 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.77 -174.96 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 119.274 -0.971 . . . . 0.0 110.75 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.26 169.0 1.25 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.311 -0.956 . . . . 0.0 110.765 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.592 ' H ' HD23 ' S' ' 89' ' ' LEU . 0.2 OUTLIER -81.79 -26.53 34.33 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.602 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -112.69 25.52 11.38 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' S' ' 92' ' ' ALA . . . -104.9 -5.99 20.58 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.123 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' S' ' 93' ' ' PRO . . . 179.98 -52.44 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 118.491 -1.284 . . . . 0.0 113.204 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' S' ' 92' ' ' ALA . 5.9 Cg_exo -58.63 -19.39 45.16 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.685 0.924 . . . . 0.0 111.818 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.33 -16.44 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 118.215 -1.394 . . . . 0.0 108.751 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' S' ' 93' ' ' PRO . 1.9 mt-10 -87.08 -24.46 24.57 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.67 HD22 HD13 ' S' ' 100' ' ' LEU . 0.4 OUTLIER -66.25 -61.41 2.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.397 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . 0.666 ' CD ' ' H ' ' S' ' 97' ' ' ARG . 0.0 OUTLIER -41.4 -33.73 0.45 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.71 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -51.76 -60.62 2.96 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.019 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.563 ' HB2' HD12 ' R' ' 34' ' ' LEU . 52.7 t90 -75.9 -53.39 8.5 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 118.238 -1.385 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.67 HD13 HD22 ' S' ' 96' ' ' LEU . 3.8 tp -31.41 -61.4 0.21 Allowed 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.006 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' S' ' 106' ' ' LYS . 16.5 tt0 -39.75 -38.49 0.65 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.479 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' S' ' 99' ' ' TRP . 1.8 mm-40 -79.77 -28.83 40.32 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.614 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . 0.547 HG21 ' CH2' ' S' ' 99' ' ' TRP . 0.6 OUTLIER -85.28 -38.15 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 C-N-CA 118.415 -1.314 . . . . 0.0 112.37 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' S' ' 106' ' ' LYS . 2.8 mt -106.47 -80.33 0.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.183 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.34 -14.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' S' ' 104' ' ' LEU . 8.2 tttp 52.59 -165.73 0.07 Allowed 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.753 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 116.279 -1.819 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.994 0.426 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -147.25 72.91 12.02 Favored Pre-proline 0 N--CA 1.487 1.408 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.04 167.46 14.15 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 121.608 1.538 . . . . 0.0 111.826 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -48.63 162.94 0.09 Allowed 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -67.02 -72.46 0.16 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.7 46.97 0.1 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.03 105.61 0.29 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 43.2 mtt -84.34 80.66 9.13 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.509 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.89 21.76 0.05 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -95.47 172.99 7.74 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.585 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . 0.615 ' H ' ' CD ' ' R' ' 14' ' ' GLN . 1.2 mp0 -53.69 146.01 14.34 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 mmm-85 -65.09 177.37 1.04 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -159.64 -0.65 0.08 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.531 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -77.62 -62.63 1.6 Allowed 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.96 -38.24 67.52 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.43 ' O ' ' CG2' ' R' ' 23' ' ' VAL . 74.1 t-105 -42.44 -32.59 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' R' ' 21' ' ' ARG . 33.3 mt -112.12 -67.57 0.99 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.053 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' R' ' 20' ' ' LEU . 1.8 ttt-85 -33.34 -44.34 0.13 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.924 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' R' ' 25' ' ' LEU . 0.5 OUTLIER -93.77 -57.52 2.53 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.997 -1.081 . . . . 0.0 112.333 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' R' ' 22' ' ' PHE . 42.4 t -40.82 -38.15 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.445 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' R' ' 25' ' ' LEU . 0.0 OUTLIER -62.09 -42.21 98.99 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.286 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' R' ' 22' ' ' PHE . 77.6 mt -53.67 -35.96 61.63 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.078 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . 0.445 HD23 ' OH ' ' S' ' 30' ' ' TYR . 5.8 tp -51.41 -30.57 19.66 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 117.893 -1.523 . . . . 0.0 108.187 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -29.93 60.47 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.872 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -49.01 78.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.244 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -62.04 -44.89 95.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 118.864 -1.135 . . . . 0.0 110.037 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' R' ' 32' ' ' ASN . 4.3 m-85 -47.92 -47.64 32.21 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 116.608 -2.037 . . . . 0.0 109.831 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' R' ' 30' ' ' TYR . 6.1 tt0 -4.0 -63.35 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.065 2.103 . . . . 0.0 110.647 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' R' ' 30' ' ' TYR . 0.3 OUTLIER -107.41 -94.56 0.38 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.411 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 81.9 m-20 -133.5 15.44 4.06 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -73.89 11.8 0.81 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' R' ' 36' ' ' LEU . 34.7 p-80 -88.87 -49.87 6.55 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.344 -1.343 . . . . 0.0 110.021 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.561 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.4 mt -42.65 -53.11 10.05 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 11.1 Cg_exo -50.91 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 120.429 0.753 . . . . 0.0 113.157 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' R' ' 41' ' ' LEU . 2.5 pp -62.98 -40.79 98.79 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 118.185 -1.406 . . . . 0.0 110.768 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' R' ' 38' ' ' LEU . 42.7 tp -43.72 -36.55 2.28 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.429 -1.308 . . . . 0.0 109.048 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' R' ' 41' ' ' LEU . 1.8 t-20 -73.73 -30.66 62.95 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.536 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' R' ' 38' ' ' LEU . 47.4 tp -37.84 -35.03 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 81.6 mmm -126.91 55.1 1.58 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.719 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.855 ' O ' HD12 ' R' ' 43' ' ' LEU . 0.1 OUTLIER -82.99 4.5 25.67 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . 0.44 ' O ' ' O ' ' R' ' 43' ' ' LEU . 0.5 OUTLIER -39.3 161.11 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.328 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.12 -31.41 90.3 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 121.609 1.539 . . . . 0.0 111.914 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' R' ' 47' ' ' GLU . 0.0 OUTLIER -59.24 -40.92 87.43 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.615 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' R' ' 46' ' ' ASP . 0.7 OUTLIER -88.4 -53.15 4.82 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.22 -0.992 . . . . 0.0 111.507 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -54.26 -23.85 16.51 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.634 -0.826 . . . . 0.0 111.654 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' R' ' 49' ' ' GLU . 7.0 tm-20 -85.58 -18.37 33.56 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.658 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.32 -25.52 16.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.238 -0.985 . . . . 0.0 112.073 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.29 -63.56 1.24 Allowed 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 118.924 -1.111 . . . . 0.0 110.776 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.01 27.84 Favored Glycine 0 N--CA 1.49 2.253 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.709 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -60.8 -42.25 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -68.38 -25.86 65.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.491 -0.883 . . . . 0.0 111.038 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.45 HG13 ' CD2' ' S' ' 22' ' ' PHE . 83.9 t -75.86 -29.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.106 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.31 28.11 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.443 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.536 ' CG1' ' N ' ' R' ' 58' ' ' VAL . 1.6 pt -49.95 -53.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 C-N-CA 119.637 -0.825 . . . . 0.0 112.935 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.569 HG13 ' H ' ' R' ' 59' ' ' GLU . 1.6 p -54.72 -55.9 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 C-N-CA 118.152 -1.419 . . . . 0.0 111.298 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . 0.569 ' H ' HG13 ' R' ' 58' ' ' VAL . 8.3 tt0 -49.98 -49.44 50.48 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.674 -0.81 . . . . 0.0 111.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.16 -49.95 52.13 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.292 -0.963 . . . . 0.0 111.67 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mt -40.04 -36.81 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 tp -44.06 -58.79 2.63 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.958 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' R' ' 65' ' ' GLU . 0.0 OUTLIER -88.69 -12.65 41.75 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.75 -2.37 3.47 Favored Glycine 0 N--CA 1.49 2.278 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.223 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' R' ' 63' ' ' ARG . 35.2 tt0 -76.07 -42.5 47.29 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.45 60.44 0.94 Allowed 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.23 97.93 2.07 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.297 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.89 -64.27 0.89 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.55 19.67 4.43 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.428 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 53.23 86.47 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 119.018 -1.073 . . . . 0.0 110.639 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -91.5 -38.59 12.44 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.847 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -63.32 -3.39 1.92 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.224 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -94.57 -41.56 9.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.372 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.27 75.17 1.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.86 -52.62 4.65 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.379 -0.928 . . . . 0.0 110.71 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.83 -34.18 0.53 Allowed Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.504 -1.331 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.09 152.67 9.4 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.09 31.77 72.43 Favored Glycine 0 N--CA 1.49 2.246 0 C-N-CA 119.461 -1.352 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 pt -94.04 -5.52 10.49 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.415 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.85 -57.21 3.13 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . 0.442 HG22 ' H ' ' R' ' 81' ' ' THR . 0.2 OUTLIER -44.52 -37.16 3.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.626 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.427 HD13 HG21 ' R' ' 82' ' ' ILE . 0.6 OUTLIER -79.16 -41.54 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.416 -0.914 . . . . 0.0 111.934 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -71.86 -5.63 35.86 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.547 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -44.75 -83.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.083 -1.047 . . . . 0.0 110.353 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.92 135.57 0.68 Allowed Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.36 -1.4 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.6 88.17 1.19 Allowed 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.924 -0.711 . . . . 0.0 109.784 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 51.58 48.03 23.67 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.929 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 14.8 m -143.04 38.53 1.44 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.049 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.03 0.16 12.93 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -90.79 -71.73 0.61 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -163.83 49.35 0.13 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.986 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . 0.633 ' N ' ' CD ' ' R' ' 93' ' ' PRO . . . -105.76 -36.04 0.19 Allowed Pre-proline 0 C--N 1.304 -1.379 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' R' ' 92' ' ' ALA . 6.0 Cg_exo -64.97 -21.63 63.56 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 121.105 1.203 . . . . 0.0 112.09 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.474 ' H ' HG13 ' R' ' 94' ' ' VAL . 0.9 OUTLIER -61.2 -7.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 C-N-CA 119.217 -0.993 . . . . 0.0 110.291 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -88.0 -11.04 48.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.492 ' C ' ' N ' ' R' ' 98' ' ' GLN . 16.5 tp -95.62 -35.31 11.66 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' R' ' 96' ' ' LEU . 57.6 mtp180 -46.95 -22.98 0.38 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.266 -0.974 . . . . 0.0 108.376 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.492 ' N ' ' C ' ' R' ' 96' ' ' LEU . 44.4 mm-40 -49.83 -65.67 0.52 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.41 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' R' ' 101' ' ' GLU . 36.0 t90 -82.57 -54.81 4.88 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.127 -1.429 . . . . 0.0 112.086 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' R' ' 99' ' ' TRP . 2.0 tp -39.06 -23.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' R' ' 99' ' ' TRP . 4.2 mt-10 -67.93 -57.25 6.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.791 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' R' ' 99' ' ' TRP . 0.0 OUTLIER -51.03 -20.72 1.49 Allowed 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.656 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' R' ' 101' ' ' GLU . 5.4 t -84.4 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 119.306 -0.958 . . . . 0.0 113.111 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' R' ' 105' ' ' LEU . 12.4 mt -93.03 -17.12 24.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.155 -1.018 . . . . 0.0 113.687 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' R' ' 101' ' ' GLU . 44.1 tp -44.84 -50.26 10.38 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 118.705 -1.198 . . . . 0.0 109.831 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -84.25 169.12 15.06 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.869 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 116.234 -1.841 . . . . 0.0 111.132 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.98 69.91 2.42 Favored Pre-proline 0 C--N 1.306 -1.296 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' S' ' 7' ' ' TYR . 5.8 Cg_exo -62.21 -49.55 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.275 1.317 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' S' ' 6' ' ' PRO . 0.2 OUTLIER 58.97 125.77 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.226 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 27.7 t -73.58 157.81 35.99 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.159 -1.016 . . . . 0.0 110.551 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.47 135.25 33.7 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . 0.428 ' H ' ' H ' ' S' ' 11' ' ' MET . . . -166.99 -3.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . 0.428 ' H ' ' H ' ' S' ' 10' ' ' ALA . 0.0 OUTLIER -57.12 -59.67 4.75 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.232 -0.987 . . . . 0.0 110.847 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.59 -177.8 6.65 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.09 147.21 30.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -94.84 -14.82 24.25 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.679 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . 0.438 ' CG ' HH11 ' S' ' 15' ' ' ARG . 0.5 OUTLIER -85.53 56.9 4.17 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.754 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.88 -1.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.06 -50.14 5.22 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -72.93 -35.4 67.0 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.265 -0.974 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.415 ' O ' HG21 ' S' ' 23' ' ' VAL . 67.1 t-105 -49.41 -16.09 0.18 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.583 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' S' ' 24' ' ' ASP . 13.3 mt -112.06 -61.61 1.69 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.096 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -49.0 28.09 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.45 ' CD2' HG13 ' R' ' 55' ' ' VAL . 75.1 m-85 -87.73 -41.45 13.32 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 118.522 -1.271 . . . . 0.0 112.795 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.415 HG21 ' O ' ' S' ' 19' ' ' TRP . 41.2 t -51.95 -25.09 5.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' S' ' 20' ' ' LEU . 1.1 m-20 -67.77 -31.5 71.43 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.566 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.77 -29.27 62.1 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.441 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.72 -39.07 90.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.012 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -24.84 66.18 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.214 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -74.96 -43.19 55.45 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' S' ' 33' ' ' ASP . . . -49.38 -75.16 0.03 OUTLIER 'General case' 0 C--O 1.195 -1.775 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.689 ' C ' ' O ' ' S' ' 29' ' ' ALA . 16.7 m-85 -11.66 -74.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.457 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' S' ' 29' ' ' ALA . 4.2 mm-40 -67.48 -38.17 83.97 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.629 ' N ' ' O ' ' S' ' 29' ' ' ALA . 2.9 m-80 -101.92 -14.47 17.2 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.937 ' O ' ' N ' ' S' ' 35' ' ' HIS . 37.7 t0 -111.66 14.93 21.22 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 1.056 HD13 ' H ' ' S' ' 34' ' ' LEU . 0.0 OUTLIER 15.99 29.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.906 0.86 . . . . 0.0 112.292 -179.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.937 ' N ' ' O ' ' S' ' 33' ' ' ASP . 0.9 OUTLIER 5.75 1.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 C-N-CA 131.218 3.807 . . . . 0.0 118.464 -175.175 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.688 ' N ' ' O ' ' S' ' 34' ' ' LEU . 0.5 OUTLIER -51.34 -50.0 78.74 Favored Pre-proline 0 C--N 1.283 -2.322 0 C-N-CA 118.007 -1.477 . . . . 0.0 111.398 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' S' ' 36' ' ' LEU . 5.9 Cg_exo -63.29 -73.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 110.324 -0.683 . . . . 0.0 110.324 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' S' ' 39' ' ' LEU . 0.4 OUTLIER -50.28 -56.71 10.05 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.375 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' S' ' 35' ' ' HIS . 38.3 tp -43.05 -43.99 4.58 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 117.746 -1.582 . . . . 0.0 111.256 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.27 -22.57 61.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.478 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -50.58 63.23 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 118.782 -1.167 . . . . 0.0 111.22 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 4.3 mmm -110.35 35.83 3.29 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.136 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' S' ' 43' ' ' LEU . 0.4 OUTLIER -46.17 -31.77 2.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.212 -0.995 . . . . 0.0 111.114 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.587 ' O ' ' O ' ' S' ' 43' ' ' LEU . 0.2 OUTLIER 31.25 114.42 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.146 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.36 -27.5 31.46 Favored 'Trans proline' 0 C--O 1.216 -0.589 0 CA-C-N 118.903 0.644 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -39.9 95.61 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.044 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.62 -43.16 49.42 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.254 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -49.63 -36.87 25.9 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.294 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -29.05 69.26 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.696 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.07 -13.47 30.81 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.622 ' C ' HD13 ' S' ' 51' ' ' LEU . 2.3 tm? -61.67 -72.89 0.11 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.765 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.4 -38.37 62.35 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m -67.66 -32.83 73.78 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.431 -0.907 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -64.71 -35.82 82.28 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.482 ' H ' HG13 ' S' ' 55' ' ' VAL . 0.8 OUTLIER -81.12 -22.91 10.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.584 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -66.55 -37.05 84.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.917 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.415 HD12 ' O ' ' S' ' 82' ' ' ILE . 0.4 OUTLIER -65.91 -61.35 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 C-N-CA 118.206 -1.398 . . . . 0.0 111.332 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . . . . . . . . . 1.4 p -46.9 -43.22 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 118.55 -1.26 . . . . 0.0 110.571 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.25 -63.77 1.18 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.347 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.52 -38.21 66.26 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.523 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.73 -59.56 3.7 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.304 -0.958 . . . . 0.0 111.382 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' S' ' 64' ' ' GLY . 0.6 OUTLIER -91.76 -65.57 1.0 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.397 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -45.6 -20.81 0.08 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' S' ' 62' ' ' LEU . . . -51.39 -45.1 53.27 Favored Glycine 0 N--CA 1.49 2.298 0 C-N-CA 119.103 -1.522 . . . . 0.0 110.213 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -44.78 -55.12 5.62 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.012 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 2.4 ttp -65.69 -59.03 4.34 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p -73.42 94.04 2.03 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.421 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.05 -31.45 62.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -79.79 22.91 0.46 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.2 -1.0 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -149.54 45.89 0.95 Allowed 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.556 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -160.29 0.08 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -77.91 -10.99 59.85 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.485 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 51.08 82.65 0.06 Allowed 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.951 ' H ' HD13 ' S' ' 75' ' ' LEU . 0.0 OUTLIER -91.75 15.06 13.59 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.272 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.06 0.77 21.1 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.11 -178.22 5.0 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.965 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.46 171.8 2.17 Favored Glycine 0 N--CA 1.493 2.455 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.23 -40.17 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -36.11 80.05 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.524 -0.87 . . . . 0.0 111.213 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 35.1 p -46.96 -32.45 3.87 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.064 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.415 ' O ' HD12 ' S' ' 57' ' ' ILE . 10.7 pt -109.83 -30.45 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.393 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . 0.65 ' O ' HG22 ' S' ' 83' ' ' THR . 97.4 m -99.67 25.94 6.68 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.883 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -62.97 -72.65 0.13 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.18 134.58 0.02 OUTLIER Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.681 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.21 171.01 14.09 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.678 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . 0.546 ' ND2' ' N ' ' S' ' 87' ' ' ASN . 0.0 OUTLIER -121.64 8.22 10.05 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.678 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.33 121.53 30.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.518 ' H ' HD23 ' S' ' 89' ' ' LEU . 0.3 OUTLIER -81.28 -19.68 42.48 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.911 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -69.16 -19.01 64.0 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -3.27 12.74 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.47 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.411 ' N ' ' HD3' ' S' ' 93' ' ' PRO . . . 50.39 61.13 14.01 Favored Pre-proline 0 N--CA 1.486 1.335 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.232 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' S' ' 95' ' ' GLU . 1.1 Cg_endo -63.57 -42.14 22.39 Favored 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.664 1.576 . . . . 0.0 111.56 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 t -42.26 -24.88 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.59 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' S' ' 93' ' ' PRO . 88.2 mt-10 -71.09 5.9 1.87 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.121 -1.032 . . . . 0.0 111.24 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.48 ' O ' HD23 ' S' ' 96' ' ' LEU . 1.1 tt -99.08 -56.14 2.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -22.28 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.629 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' S' ' 96' ' ' LEU . 54.7 mt-30 -53.93 -60.38 3.4 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.519 -0.873 . . . . 0.0 110.143 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.515 ' CD1' HD23 ' R' ' 34' ' ' LEU . 35.4 t90 -76.07 -55.56 5.48 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' S' ' 99' ' ' TRP . 3.4 tp -34.28 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.045 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' S' ' 99' ' ' TRP . 5.8 mt-10 -66.97 -37.37 84.12 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' S' ' 106' ' ' LYS . 36.8 mm-40 -74.67 -29.55 61.28 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.4 -35.96 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.362 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.59 -55.86 2.78 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.159 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.45 -50.13 60.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.886 -1.125 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' S' ' 102' ' ' GLU . 0.0 OUTLIER -105.58 123.56 48.1 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.828 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.306 -1.317 0 CA-C-O 116.277 -1.821 . . . . 0.0 110.637 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' R' R ' 4' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' R' ' 5' ' ' SER . 4.0 tt0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' R' ' 4' ' ' GLN . 49.4 m -38.32 103.0 0.26 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.9 -177.08 0.4 Allowed 'Trans proline' 0 C--O 1.215 -0.655 0 C-N-CA 120.553 0.836 . . . . 0.0 111.272 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.1 174.49 8.22 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.974 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.18 -31.08 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.98 -47.35 6.74 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 146.26 12.04 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 8.9 mmt -87.5 -49.89 6.9 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.301 -0.96 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.01 110.53 1.83 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -78.09 134.2 37.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -75.44 90.45 2.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.311 -0.956 . . . . 0.0 110.257 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 15' ' ' ARG . . . . . 0.451 ' C ' ' N ' ' R' ' 17' ' ' GLN . 24.2 mtt-85 -90.38 -19.36 24.07 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.301 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 47.87 20.94 0.25 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 17' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' R' ' 15' ' ' ARG . 6.6 tt0 -61.02 -62.05 2.13 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.7 -20.93 61.14 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.785 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 19' ' ' TRP . . . . . 0.415 ' CZ3' HD13 ' S' ' 51' ' ' LEU . 30.5 t-105 -46.92 -41.94 16.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.593 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.99 -30.34 7.29 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 21' ' ' ARG . . . . . 0.417 ' O ' ' OD2' ' R' ' 24' ' ' ASP . 15.1 ttp-105 -62.89 -25.8 68.48 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.683 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 22' ' ' PHE . . . . . 0.582 ' CD2' HG23 ' S' ' 55' ' ' VAL . 35.6 t80 -103.68 -44.97 4.94 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.013 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 48.8 t -52.93 -30.9 16.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 C-N-CA 118.685 -1.206 . . . . 0.0 109.613 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 24' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' R' ' 21' ' ' ARG . 2.5 p30 -63.88 -27.86 69.44 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.002 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.3 -33.94 59.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.203 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 26' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' R' ' 26' ' ' LEU . 55.9 tp -55.02 -48.32 73.54 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.155 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -25.38 61.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.57 -51.24 44.87 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 29' ' ' ALA . . . . . 0.734 ' HB1' ' O ' ' R' ' 34' ' ' LEU . . . -57.56 -24.0 53.73 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 118.533 -1.267 . . . . 0.0 109.937 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 30' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' R' ' 32' ' ' ASN . 5.1 m-85 -68.76 -48.33 63.99 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 116.305 -2.158 . . . . 0.0 108.287 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 31' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' R' ' 30' ' ' TYR . 7.4 tt0 -4.21 -64.52 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 126.342 2.276 . . . . 0.0 110.718 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 32' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' R' ' 30' ' ' TYR . 4.4 t-20 -104.76 -94.79 0.34 Allowed 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 33' ' ' ASP . . . . . 0.46 ' H ' ' HB3' ' R' ' 32' ' ' ASN . 8.8 t70 -133.4 14.61 4.12 Favored 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.734 ' O ' ' HB1' ' R' ' 29' ' ' ALA . 8.0 mp -70.24 10.18 0.48 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.241 -1.784 . . . . 0.0 115.585 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 35' ' ' HIS . . . . . 0.447 ' O ' ' CB ' ' R' ' 39' ' ' LEU . 16.0 p-80 -86.35 -49.16 7.86 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 117.481 -1.688 . . . . 0.0 108.141 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG ' ' R' ' 35' ' ' HIS . 1.0 OUTLIER -36.26 -56.43 1.24 Allowed Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.21 -76.5 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.703 0 C-N-CA 120.484 0.789 . . . . 0.0 113.578 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.723 ' C ' HD12 ' R' ' 38' ' ' LEU . 0.1 OUTLIER -60.08 -42.67 95.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.433 -1.307 . . . . 0.0 110.619 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 39' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' R' ' 38' ' ' LEU . 42.5 tp -47.34 -36.37 9.37 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.365 -1.334 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 40' ' ' ASN . . . . . 0.412 ' ND2' HD11 ' R' ' 43' ' ' LEU . 0.8 OUTLIER -73.0 -32.01 64.86 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.073 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.47 -43.07 7.56 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.035 -1.066 . . . . 0.0 111.009 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.07 43.13 1.03 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.676 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 43' ' ' LEU . . . . . 0.412 HD11 ' ND2' ' R' ' 40' ' ' ASN . 3.2 mt -78.87 10.45 3.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.31 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.03 160.13 0.23 Allowed Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 119.419 -0.913 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -51.72 3.67 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.3 1.333 . . . . 0.0 111.677 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.3 -44.82 88.72 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.621 -0.832 . . . . 0.0 111.847 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.23 -44.29 59.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.375 -0.93 . . . . 0.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -48.71 -51.84 26.63 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.51 -39.31 77.65 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.35 -38.94 13.87 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 119.172 -1.011 . . . . 0.0 110.363 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 51' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' R' ' 51' ' ' LEU . 0.2 OUTLIER -49.66 -70.98 0.07 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.282 -0.967 . . . . 0.0 109.948 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.23 -28.72 0.88 Allowed Glycine 0 N--CA 1.483 1.773 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -53.86 25.77 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.749 -1.18 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.48 -12.11 29.12 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 55' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' S' ' 22' ' ' PHE . 47.6 t -87.25 -28.62 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -63.88 -51.87 62.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.642 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' R' ' 58' ' ' VAL . 0.4 OUTLIER -47.03 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.108 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 58' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' R' ' 57' ' ' ILE . 14.2 t -32.16 -58.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 124.019 0.824 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -46.58 -59.63 2.88 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.57 -22.73 59.97 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.927 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.19 -25.22 62.43 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.963 -1.095 . . . . 0.0 111.075 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 62' ' ' LEU . . . . . 0.825 ' O ' HD12 ' R' ' 62' ' ' LEU . 0.2 OUTLIER -56.69 -42.87 79.85 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.164 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 23.15 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 119.336 -0.946 . . . . 0.0 112.252 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 64' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' R' ' 62' ' ' LEU . . . -75.99 -8.41 84.89 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.073 -1.537 . . . . 0.0 109.907 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -61.46 1.77 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -90.86 -61.96 1.56 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 67' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' R' ' 67' ' ' SER . 3.4 t -69.77 78.21 0.45 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.68 -50.35 31.32 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.436 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -124.69 14.25 8.69 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -87.6 -80.84 0.25 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.264 -0.974 . . . . 0.0 110.705 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.33 52.41 2.44 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.644 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -153.6 -16.56 0.14 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.464 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -39.52 3.33 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -86.39 -76.08 0.36 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.451 -0.9 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 75' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' R' ' 77' ' ' ALA . 4.3 mt -73.71 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.784 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.58 -17.67 2.55 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.246 -1.454 . . . . 0.0 110.411 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 77' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' R' ' 75' ' ' LEU . . . 50.78 23.08 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.91 54.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.549 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.4 -24.59 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.63 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.87 3.56 6.5 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 26.8 p -124.54 -25.37 4.04 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 86.0 mt -86.11 -75.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 32.6 p -56.84 -21.22 27.55 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.345 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -73.21 -91.1 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.174 -1.01 . . . . 0.0 110.715 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . 47.36 -102.91 0.05 OUTLIER Glycine 0 N--CA 1.489 2.216 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.122 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 9.0 m -150.2 125.85 10.32 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.76 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 87' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' R' ' 88' ' ' SER . 0.6 OUTLIER -58.33 -15.44 10.44 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.774 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 88' ' ' SER . . . . . 0.461 ' O ' ' O ' ' R' ' 87' ' ' ASN . 0.5 OUTLIER 57.43 125.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.174 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 tp -51.82 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.769 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 90' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' R' ' 91' ' ' ALA . 4.3 mttt -50.47 -31.94 16.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.086 -1.046 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 91' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' R' ' 90' ' ' LYS . . . 74.58 59.5 0.07 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.081 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.01 72.36 61.04 Favored Pre-proline 0 N--CA 1.49 1.549 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.501 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 93' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' R' ' 95' ' ' GLU . 9.7 Cg_endo -76.13 -11.38 19.49 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 121.77 1.646 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.84 -13.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.978 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 95' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' R' ' 93' ' ' PRO . 21.8 mm-40 -75.77 -0.4 20.87 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 118.664 -1.214 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 96' ' ' LEU . . . . . 0.68 HD13 ' C ' ' R' ' 96' ' ' LEU . 3.0 tm? -81.33 -44.37 17.73 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -65.91 -30.21 70.76 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.929 -0.709 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -46.08 -71.44 0.07 Allowed 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 99' ' ' TRP . . . . . 0.662 ' CH2' ' HB2' ' S' ' 29' ' ' ALA . 39.5 t90 -67.26 -48.83 66.56 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.213 -1.395 . . . . 0.0 112.052 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -40.17 27.03 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.468 -0.893 . . . . 0.0 113.167 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.23 -16.01 29.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.03 -1.068 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -98.39 -25.59 14.76 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' R' R ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' R' ' 104' ' ' LEU . 1.8 p -95.56 -41.01 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 C-N-CA 118.772 -1.171 . . . . 0.0 114.037 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.469 ' N ' ' CG1' ' R' ' 103' ' ' VAL . 3.8 mt -90.83 -58.51 2.45 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.901 -1.12 . . . . 0.0 112.406 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' R' ' 106' ' ' LYS . 53.2 tp -59.93 -54.35 47.09 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' R' R ' 106' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' R' ' 105' ' ' LEU . 0.4 OUTLIER 58.88 118.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' R' R ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 116.355 -1.783 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -163.01 68.2 1.82 Allowed Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.461 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -71.71 113.89 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 121.833 1.689 . . . . 0.0 111.546 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 48.19 19.87 0.23 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -31.82 61.59 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.309 -0.957 . . . . 0.0 111.113 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.56 45.27 1.01 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.33 84.53 7.47 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 11' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' S' ' 11' ' ' MET . 0.1 OUTLIER 46.95 80.54 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.735 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 158.73 7.14 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -9.46 31.84 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 14' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -54.92 151.49 8.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.659 -0.817 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -136.99 72.86 1.43 Allowed 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.168 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -135.51 7.98 3.33 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -95.04 -46.18 6.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.597 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 18' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' S' ' 20' ' ' LEU . 1.3 mt-10 -72.07 -37.94 69.53 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.522 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 19' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' S' ' 19' ' ' TRP . 57.7 t-105 -44.69 -11.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' S' ' 18' ' ' GLU . 11.8 mt -111.2 -63.41 1.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.737 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -44.92 -46.12 10.77 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.454 -0.794 . . . . 0.0 113.127 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 22' ' ' PHE . . . . . 0.473 ' CD1' HG13 ' R' ' 55' ' ' VAL . 22.4 m-85 -81.58 -50.04 9.83 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.911 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' S' ' 22' ' ' PHE . 96.4 t -46.37 -21.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 C-N-CA 118.362 -1.335 . . . . 0.0 109.596 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' S' ' 22' ' ' PHE . 0.4 OUTLIER -71.53 -43.87 65.66 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.815 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -64.22 -22.86 67.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.489 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 26' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' S' ' 26' ' ' LEU . 0.2 OUTLIER -65.19 -54.76 24.62 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 118.36 -1.336 . . . . 0.0 108.93 179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -10.9 16.26 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.339 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 28' ' ' ASN . . . . . 0.43 ' HA ' HE21 ' S' ' 31' ' ' GLN . 1.5 m120 -79.58 -45.03 19.95 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 29' ' ' ALA . . . . . 0.662 ' HB2' ' CH2' ' R' ' 99' ' ' TRP . . . -68.3 -30.79 69.87 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.067 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 30' ' ' TYR . . . . . 0.88 ' O ' ' N ' ' S' ' 33' ' ' ASP . 2.9 m-85 -56.15 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 118.709 -1.196 . . . . 0.0 111.066 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 31' ' ' GLN . . . . . 0.554 ' C ' ' H ' ' S' ' 33' ' ' ASP . 10.4 pt20 -20.89 -50.59 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 125.009 1.443 . . . . 0.0 111.973 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . 0.81 ' O ' ' N ' ' S' ' 34' ' ' LEU . 12.6 m120 -81.22 32.87 0.34 Allowed 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 33' ' ' ASP . . . . . 0.88 ' N ' ' O ' ' S' ' 30' ' ' TYR . 1.3 m-20 19.89 27.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 124.694 1.246 . . . . 0.0 112.676 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' S' ' 32' ' ' ASN . 2.4 mt -91.01 12.71 18.87 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.22 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 35' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' S' ' 39' ' ' LEU . 26.0 p-80 -76.04 -23.67 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' S' ' 37' ' ' PRO . 1.0 OUTLIER -58.06 -48.4 97.14 Favored Pre-proline 0 N--CA 1.5 2.037 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -179.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' S' ' 36' ' ' LEU . 3.5 Cg_exo -56.57 -61.81 0.29 Allowed 'Trans proline' 0 C--N 1.32 -0.964 0 CA-C-N 119.41 0.825 . . . . 0.0 112.466 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' S' ' 39' ' ' LEU . 0.5 OUTLIER -67.19 -37.54 83.85 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.793 -1.563 . . . . 0.0 110.31 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 39' ' ' LEU . . . . . 0.471 ' N ' ' HG ' ' S' ' 38' ' ' LEU . 21.0 tp -52.6 -37.07 57.43 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.303 -1.759 . . . . 0.0 108.383 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -32.35 72.37 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.26 -32.98 0.87 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.074 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 42' ' ' MET . . . . . . . . . . . . . 71.1 mmm -127.84 58.02 1.52 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.654 -0.819 . . . . 0.0 112.101 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 43' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' S' ' 44' ' ' THR . 1.6 pp -89.02 3.41 51.76 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 44' ' ' THR . . . . . 0.457 ' O ' ' O ' ' S' ' 43' ' ' LEU . 1.2 p -31.31 153.2 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.548 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -51.39 -46.56 30.76 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.42 1.414 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -18.1 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.718 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -108.87 -28.63 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.75 -58.89 3.35 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.429 -0.908 . . . . 0.0 110.211 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.43 -12.27 5.81 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.734 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.54 -30.3 14.46 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.397 -0.921 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' R' ' 19' ' ' TRP . 4.7 tt -69.54 -62.62 1.31 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.39 -33.94 17.82 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.878 -1.629 . . . . 0.0 109.264 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 95.3 m -70.63 -32.85 70.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -61.59 -56.74 16.65 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.329 -0.948 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 55' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' R' ' 22' ' ' PHE . 2.3 p -57.01 -35.1 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -51.45 -55.46 18.67 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.221 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' S' ' 82' ' ' ILE . 0.4 OUTLIER -55.08 -54.92 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.875 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 58' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' S' ' 57' ' ' ILE . 67.8 t -44.96 -63.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.166 -1.014 . . . . 0.0 111.602 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.82 -11.99 15.23 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.781 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 60' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' S' ' 64' ' ' GLY . 3.3 tt0 -89.37 -62.57 1.45 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.967 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.37 -36.24 61.18 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.512 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 62' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' S' ' 62' ' ' LEU . 0.2 OUTLIER -69.85 -62.08 1.52 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.066 -1.053 . . . . 0.0 110.561 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.51 -6.78 43.09 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.785 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' S' ' 60' ' ' GLU . . . -70.5 -11.17 68.0 Favored Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.525 -1.321 . . . . 0.0 110.698 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.38 -26.55 68.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.775 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -15.52 43.81 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.482 -0.887 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t 49.53 31.18 3.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.487 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.61 -65.44 0.63 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.52 12.02 30.98 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 47.38 46.52 17.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 119.459 -0.896 . . . . 0.0 110.732 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.51 -37.88 71.17 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -77.59 -44.52 28.13 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 73' ' ' ASN . . . . . 0.502 ' N ' ' OD1' ' S' ' 73' ' ' ASN . 1.0 OUTLIER -94.45 12.8 25.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.227 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.02 -60.12 1.52 Allowed 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.228 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -6.56 46.66 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.063 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.77 2.25 80.7 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.198 -1.477 . . . . 0.0 110.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 77' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' S' ' 78' ' ' GLY . . . -166.43 4.26 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.421 -0.912 . . . . 0.0 110.605 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 78' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' S' ' 80' ' ' ALA . . . -73.64 -1.8 59.08 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.2 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 79' ' ' ILE . . . . . . . . . . . . . 6.8 mt -43.42 -21.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.656 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 80' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' S' ' 78' ' ' GLY . . . 42.89 -107.18 0.09 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -119.18 0.92 11.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 82' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' S' ' 57' ' ' ILE . 69.0 mt -44.92 -66.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 119.273 -0.971 . . . . 0.0 110.738 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 83' ' ' THR . . . . . . . . . . . . . 9.4 m -86.44 -53.79 4.79 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.289 -0.965 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 84' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -66.35 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.06 -119.45 18.75 Favored Glycine 0 N--CA 1.489 2.223 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.018 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -75.95 0.15 Allowed 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.83 171.65 1.14 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.258 -0.977 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 1.6 t -172.85 -41.94 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 118.929 -1.109 . . . . 0.0 111.308 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 89' ' ' LEU . . . . . 0.728 ' H ' HD23 ' S' ' 89' ' ' LEU . 0.1 OUTLIER -69.17 -55.4 10.74 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.299 -0.961 . . . . 0.0 111.078 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' S' ' 92' ' ' ALA . 1.4 mtpt -106.37 -62.15 1.43 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.252 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 91' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' S' ' 92' ' ' ALA . . . 47.75 18.15 0.12 Allowed 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.515 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' S' ' 90' ' ' LYS . . . -35.29 100.64 0.2 Allowed Pre-proline 0 N--CA 1.492 1.665 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.183 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 93' ' ' PRO . . . . . 0.51 ' C ' ' N ' ' S' ' 95' ' ' GLU . 4.3 Cg_endo -71.18 -3.17 12.36 Favored 'Trans proline' 0 C--O 1.213 -0.745 0 C-N-CA 120.816 1.01 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 94' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.85 -16.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 C-N-CA 119.013 -1.075 . . . . 0.0 109.189 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 95' ' ' GLU . . . . . 0.51 ' N ' ' C ' ' S' ' 93' ' ' PRO . 20.2 mt-10 -88.89 -31.64 18.14 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.558 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 96' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' S' ' 93' ' ' PRO . 24.2 tp -78.48 -42.33 30.0 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -52.86 -25.8 12.7 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -63.67 1.05 Allowed 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.434 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.527 ' HB2' HD23 ' R' ' 34' ' ' LEU . 32.5 t90 -81.58 -59.19 2.7 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.013 -1.075 . . . . 0.0 111.745 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 100' ' ' LEU . . . . . 0.552 HD21 HG13 ' S' ' 58' ' ' VAL . 0.2 OUTLIER -26.88 -53.16 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.762 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.45 -51.25 8.87 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 102' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' S' ' 99' ' ' TRP . 21.2 mt-10 -59.95 -30.96 69.43 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.531 -0.867 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 103' ' ' VAL . . . . . . . . . . . . . 14.3 t -68.63 -68.87 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.814 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.64 -77.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.301 -0.959 . . . . 0.0 111.914 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 105' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' S' ' 106' ' ' LYS . 0.7 OUTLIER -40.5 -45.82 2.33 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.546 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 106' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' S' ' 105' ' ' LEU . 0.0 OUTLIER 60.94 119.9 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.751 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 107' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.811 -179.931 . . . . . . . . 0 0 . 1 stop_ save_