data_2l6r_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 2l6r _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.65 -50.11 13.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.947 -1.096 . . . . 0.0 108.976 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.59 46.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.01 5.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 109.585 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.02 68.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.48 -50.14 48.17 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.17 -18.76 2.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.189 -0.944 . . . . 0.0 108.482 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.16 -40.79 51.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.38 67.97 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.646 -1.222 . . . . 0.0 108.632 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -77.18 -33.13 56.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.094 -1.004 . . . . 0.0 109.362 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 12.3 m-20 -76.19 -17.59 59.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.454 -0.779 . . . . 0.0 110.453 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -93.23 -23.48 18.52 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.928 -1.108 . . . . 0.0 110.385 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -7.84 51.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.388 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.36 -5.5 56.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.879 -1.138 . . . . 0.0 110.095 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.03 -48.85 0.93 Allowed Glycine 0 N--CA 1.503 3.157 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.45 112.75 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.937 -1.331 . . . . 0.0 108.765 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 15.3 ttm180 -82.35 -42.62 18.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.487 -0.758 . . . . 0.0 110.664 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 134.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.05 -1.031 . . . . 0.0 110.263 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.61 152.71 47.03 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.453 -0.779 . . . . 0.0 109.273 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 m -104.84 149.53 25.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.333 -0.854 . . . . 0.0 109.606 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.067 -1.021 . . . . 0.0 110.161 179.833 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.502 2.164 0 CA-C-O 120.868 0.366 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -95.13 144.51 25.7 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.972 -1.08 . . . . 0.0 108.188 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 60.9 p -107.94 162.03 14.39 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.423 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.21 -11.89 0.21 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.401 -1.437 . . . . 0.0 110.357 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 69.7 p -60.4 -26.18 66.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.077 -1.014 . . . . 0.0 109.996 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 47.7 p -128.31 53.92 1.78 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.365 -0.834 . . . . 0.0 109.838 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -79.2 -11.24 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.166 -0.959 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.3 p -72.36 -46.99 52.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.689 -1.257 . . . . 0.0 109.728 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.69 -36.8 67.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.342 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tp -63.29 -35.93 81.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.811 -1.181 . . . . 0.0 108.75 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -67.0 -40.99 87.44 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.566 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -71.17 -39.26 71.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.059 -1.026 . . . . 0.0 109.842 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -60.01 -51.14 70.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 109.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -52.58 -52.13 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.096 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.39 62.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 110.012 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.5 -26.39 63.4 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 110.072 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.994 -1.066 . . . . 0.0 110.129 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 4.2 mp0 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.42 -50.44 14.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.844 -1.16 . . . . 0.0 108.973 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.35 67.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.373 -0.83 . . . . 0.0 109.567 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.55 -55.06 5.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.63 -28.95 64.15 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.92 -50.11 45.42 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.38 -18.64 2.71 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.102 -0.999 . . . . 0.0 108.514 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.61 -40.06 50.57 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -32.5 70.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.813 -1.179 . . . . 0.0 108.777 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -77.02 -33.52 57.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.405 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 16.7 m-20 -76.16 -13.71 60.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 110.525 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.86 -26.33 16.23 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.974 -1.079 . . . . 0.0 110.618 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 mtt -92.25 -6.26 50.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.721 -1.237 . . . . 0.0 109.749 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -5.84 56.96 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.944 -1.097 . . . . 0.0 109.996 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.23 -50.16 0.9 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -55.36 115.76 2.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.952 -1.323 . . . . 0.0 108.813 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -83.11 -41.68 18.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.356 -0.84 . . . . 0.0 110.614 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.31 134.17 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.956 -1.09 . . . . 0.0 109.942 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.66 151.84 51.84 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -105.11 141.52 36.51 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.343 -0.848 . . . . 0.0 109.799 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.072 -1.018 . . . . 0.0 109.77 179.579 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.84 143.48 26.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.874 -1.141 . . . . 0.0 108.348 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 59.6 p -102.89 162.24 13.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.33 -11.55 0.53 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.348 -1.47 . . . . 0.0 110.518 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 50.7 p -57.18 -28.59 62.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.033 -1.042 . . . . 0.0 110.16 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.8 p -130.15 54.93 1.83 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.323 -0.861 . . . . 0.0 109.852 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.77 -11.57 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.053 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -72.34 -44.18 63.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.719 -1.238 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 12.6 p30 -55.74 -30.58 61.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 0.0 109.192 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.02 -36.06 74.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.799 -1.188 . . . . 0.0 108.235 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -64.43 -47.66 78.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.287 -0.883 . . . . 0.0 109.146 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.83 -42.37 99.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 110.051 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.0 -51.43 70.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.165 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.86 -50.2 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.272 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.0 63.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.475 -0.765 . . . . 0.0 110.437 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.83 -28.52 66.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.153 -0.967 . . . . 0.0 110.739 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 N--CA 1.497 1.916 0 O-C-N 120.859 -1.15 . . . . 0.0 110.538 -179.376 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -77.48 -50.05 13.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.953 -1.092 . . . . 0.0 108.857 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.21 61.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.465 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.77 -54.95 5.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.563 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.03 -30.41 68.0 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.3 tpt180 -68.79 -50.09 53.17 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.22 3.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.154 -0.966 . . . . 0.0 108.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -79.4 -36.83 38.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -29.37 70.44 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.816 -1.154 . . . . 0.0 108.944 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.9 -32.06 57.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.076 -1.015 . . . . 0.0 109.036 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.77 -34.8 60.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.127 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.26 -23.53 57.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.656 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -8.81 50.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.875 -1.141 . . . . 0.0 109.465 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -94.37 -6.16 44.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.04 -1.038 . . . . 0.0 109.925 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.25 -46.3 1.09 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 12.0 mptt -47.94 99.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.085 -1.244 . . . . 0.0 109.141 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' HG3' HH11 ' A' ' 22' ' ' ARG . 15.5 ttm-85 -72.41 -49.12 36.02 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.362 -0.836 . . . . 0.0 110.092 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.84 134.33 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 110.101 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.0 44.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.358 -0.839 . . . . 0.0 108.984 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 m -104.22 154.35 19.87 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.32 -0.863 . . . . 0.0 109.846 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 109.868 179.842 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -95.42 145.96 24.76 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.866 -1.146 . . . . 0.0 108.673 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.441 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 67.3 p -110.48 162.01 15.11 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.69 -11.89 0.44 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.241 -1.537 . . . . 0.0 110.307 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.441 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 68.7 p -61.03 -25.75 67.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.022 -1.048 . . . . 0.0 110.13 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 36.6 p -129.57 54.47 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.325 -0.859 . . . . 0.0 110.025 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.87 -11.84 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.089 -1.007 . . . . 0.0 110.253 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.8 p -73.45 -46.12 50.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.577 -1.327 . . . . 0.0 110.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 17.5 p30 -55.17 -29.24 57.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.095 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.59 -37.3 73.88 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.802 -1.187 . . . . 0.0 108.271 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -63.03 -48.57 78.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.219 -0.926 . . . . 0.0 109.012 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -61.24 -42.89 99.4 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 110.092 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.17 -52.17 66.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -53.81 -51.45 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.097 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -41.62 63.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.548 -0.72 . . . . 0.0 110.082 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -58.63 -27.56 64.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.141 -0.975 . . . . 0.0 110.204 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.494 1.769 0 O-C-N 120.982 -1.074 . . . . 0.0 110.218 -179.584 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.54 -50.3 12.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 109.013 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -27.01 63.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.28 -54.81 6.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -28.98 59.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.95 -49.9 40.43 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.04 -18.63 2.17 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.088 -1.007 . . . . 0.0 108.548 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.33 -42.94 43.3 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -31.29 63.88 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.705 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -76.45 -33.7 58.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.05 . . . . 0.0 109.425 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -76.84 -24.94 52.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 110.491 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.87 -26.36 34.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.959 -1.088 . . . . 0.0 110.596 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.2 mtt -92.54 -8.17 45.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.706 -1.246 . . . . 0.0 109.635 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.506 ' H ' ' HG1' ' A' ' 19' ' ' THR . 2.6 p -92.7 -6.04 50.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.999 -1.063 . . . . 0.0 109.967 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.42 -50.86 0.87 Allowed Glycine 0 N--CA 1.504 3.169 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -50.8 93.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.95 -1.323 . . . . 0.0 108.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLY . 63.7 mtm180 -68.05 -50.99 51.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.594 -0.691 . . . . 0.0 109.792 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -77.95 133.87 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.045 -1.034 . . . . 0.0 109.57 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.57 152.47 50.51 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -103.64 144.6 31.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.298 -0.876 . . . . 0.0 109.847 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.122 -0.986 . . . . 0.0 110.034 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.45 143.71 26.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.807 -1.183 . . . . 0.0 108.205 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.44 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 57.0 p -105.96 169.81 8.27 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.76 -11.54 1.45 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.668 -1.27 . . . . 0.0 109.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.44 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 76.0 p -63.75 -23.93 67.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.223 -0.923 . . . . 0.0 110.225 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 38.6 p -129.39 54.18 1.84 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.1 -11.62 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.137 -0.977 . . . . 0.0 110.236 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 p -72.52 -46.87 52.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.695 -1.253 . . . . 0.0 109.876 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.67 -37.08 67.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 0.0 109.497 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.7 tp -63.58 -36.2 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.799 -1.188 . . . . 0.0 108.608 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.16 -43.39 87.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.235 -0.916 . . . . 0.0 109.232 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.61 -40.82 84.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -59.12 -51.56 69.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.0 109.148 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.44 -53.17 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.902 . . . . 0.0 109.2 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.3 -40.32 64.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.506 -0.746 . . . . 0.0 110.049 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.37 -27.05 63.86 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.143 -0.973 . . . . 0.0 109.986 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.969 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.24 -46.72 26.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 108.982 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.43 67.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.479 -0.763 . . . . 0.0 109.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.47 -55.86 5.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.135 -0.978 . . . . 0.0 109.903 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.16 -28.76 63.06 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.73 -50.29 31.48 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.316 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.25 -18.55 4.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.944 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.63 38.71 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -28.1 68.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.802 -1.186 . . . . 0.0 108.961 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -76.8 -32.62 57.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.998 -1.064 . . . . 0.0 108.977 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.5 -34.75 60.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -74.81 -23.52 58.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.084 -1.01 . . . . 0.0 110.594 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.04 53.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.801 -1.187 . . . . 0.0 109.689 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -93.93 -5.61 47.43 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.943 -1.098 . . . . 0.0 109.973 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 126.01 -45.5 1.15 Allowed Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 11.8 mptt -47.97 98.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 0.0 108.808 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 11.9 ptp180 -73.91 -46.01 47.07 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 110.488 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 22' ' ' ARG . 8.1 p -83.93 133.12 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.887 -1.133 . . . . 0.0 110.1 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.36 153.15 42.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.37 -0.831 . . . . 0.0 109.008 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -103.14 154.05 19.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.139 -0.976 . . . . 0.0 110.12 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.503 2.18 0 CA-C-O 120.867 0.365 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -95.17 143.49 26.56 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.809 -1.182 . . . . 0.0 107.884 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.439 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 73.2 p -104.49 167.37 9.78 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.59 -11.41 0.56 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.518 -1.364 . . . . 0.0 109.862 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.439 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 71.4 p -63.87 -23.08 67.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 110.146 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.6 p -129.81 54.13 1.87 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.349 -0.844 . . . . 0.0 110.182 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.83 -12.23 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.052 -1.03 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -74.11 -46.47 42.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.571 -1.331 . . . . 0.0 110.156 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 23.1 p30 -55.11 -27.63 46.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.096 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.2 tp -73.34 -35.52 66.02 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.845 -1.159 . . . . 0.0 108.395 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -63.91 -46.37 85.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.905 . . . . 0.0 109.521 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -40.44 91.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 110.084 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.14 -45.91 91.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.152 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.7 mt -56.4 -53.91 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.225 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.06 -40.2 66.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 -28.76 65.33 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.125 -0.984 . . . . 0.0 110.189 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.904 -1.122 . . . . 0.0 109.922 -179.834 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.42 -50.0 13.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.845 -1.159 . . . . 0.0 108.942 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.89 54.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 109.425 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -55.01 5.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.858 . . . . 0.0 109.685 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.29 67.66 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.1 tpt180 -69.11 -50.27 49.56 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.45 -18.43 2.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.82 -38.84 45.45 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -31.44 70.33 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.678 -1.209 . . . . 0.0 108.709 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -77.03 -33.21 57.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.0 109.417 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 14.0 m-20 -75.91 -17.75 59.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.505 -0.747 . . . . 0.0 110.47 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -92.78 -23.88 18.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.902 -1.124 . . . . 0.0 110.344 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -8.02 50.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.117 . . . . 0.0 109.622 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -90.36 -5.33 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.846 -1.159 . . . . 0.0 110.072 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.44 -50.48 0.88 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -51.61 108.51 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.285 . . . . 0.0 108.741 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 41.3 ttp180 -79.68 -45.14 19.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.391 -0.818 . . . . 0.0 110.718 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.19 133.99 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.029 -1.044 . . . . 0.0 110.044 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.69 152.26 43.73 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.442 -0.786 . . . . 0.0 109.271 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -104.62 152.47 22.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.427 -0.796 . . . . 0.0 109.614 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.111 -0.993 . . . . 0.0 109.841 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.502 2.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.58 145.18 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.801 -1.187 . . . . 0.0 108.707 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 73.4 p -108.55 160.86 15.58 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.04 -11.41 0.45 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 75.4 p -59.7 -26.71 65.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.055 -1.028 . . . . 0.0 110.031 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 43.3 p -129.36 54.49 1.82 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.375 -0.828 . . . . 0.0 109.877 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -79.93 -11.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.195 -0.941 . . . . 0.0 110.319 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 39.4 p -73.28 -43.86 60.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.601 -1.312 . . . . 0.0 109.965 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.9 p30 -55.54 -33.11 63.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.967 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -68.12 -35.21 77.76 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.919 -1.113 . . . . 0.0 108.538 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -65.5 -44.55 86.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.289 -0.882 . . . . 0.0 109.329 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -66.96 -40.55 87.54 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.088 -1.008 . . . . 0.0 109.976 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.22 -51.91 67.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 0.0 109.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -53.84 -51.13 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.01 65.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.557 -0.714 . . . . 0.0 110.07 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.41 -27.05 63.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.494 1.743 0 O-C-N 120.974 -1.079 . . . . 0.0 110.095 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.14 -52.38 9.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.882 -1.136 . . . . 0.0 108.631 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.87 67.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.007 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.74 -54.84 6.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.25 -28.92 67.15 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.479 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.09 -49.85 40.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.333 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.89 2.22 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.139 -0.976 . . . . 0.0 108.621 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.22 -41.02 42.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -32.08 66.37 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 118.658 -1.217 . . . . 0.0 108.666 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.83 -33.77 57.91 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.026 -1.046 . . . . 0.0 109.387 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.22 -12.6 60.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.754 . . . . 0.0 110.479 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.43 -26.09 15.45 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.5 mtt -92.5 -7.15 48.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.796 -1.19 . . . . 0.0 109.673 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' A' ' 19' ' ' THR . 3.1 p -89.49 -6.08 56.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.936 -1.102 . . . . 0.0 110.044 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.85 -49.78 0.91 Allowed Glycine 0 N--CA 1.502 3.067 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -52.69 111.53 0.67 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.946 -1.326 . . . . 0.0 108.683 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -81.15 -43.27 19.61 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.198 -0.938 . . . . 0.0 110.229 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 p -85.73 134.96 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.126 -0.984 . . . . 0.0 110.208 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.4 151.85 42.24 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.452 -0.78 . . . . 0.0 108.917 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -109.93 140.26 44.12 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.371 -0.831 . . . . 0.0 109.875 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.112 -0.992 . . . . 0.0 109.103 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 121.045 0.45 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.09 142.54 27.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.877 -1.14 . . . . 0.0 108.193 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 38' ' ' THR . 75.3 p -101.35 161.69 13.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -11.43 0.09 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.435 -1.415 . . . . 0.0 110.387 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 36' ' ' THR . 72.7 p -61.49 -26.82 68.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.048 -1.032 . . . . 0.0 110.027 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.4 p -128.75 53.87 1.82 Allowed 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.47 -0.769 . . . . 0.0 110.011 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -78.44 -10.84 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.07 -1.019 . . . . 0.0 109.997 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.521 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 66.8 p -71.94 -46.72 56.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.681 -1.262 . . . . 0.0 109.864 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.521 ' H ' ' HG ' ' A' ' 41' ' ' SER . 2.7 p30 -55.69 -35.88 66.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 0.0 109.411 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.0 tp -64.3 -35.86 82.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.756 -1.215 . . . . 0.0 108.415 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -66.5 -45.07 80.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 109.012 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -65.01 -42.12 94.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.17 -49.56 77.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.18 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.19 -53.35 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.161 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.02 69.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.503 -0.748 . . . . 0.0 110.418 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -58.17 -28.24 64.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.987 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 N--CA 1.494 1.746 0 O-C-N 120.948 -1.095 . . . . 0.0 109.994 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -52.32 9.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.009 -1.057 . . . . 0.0 108.692 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.78 -23.86 67.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -55.3 5.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.881 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.47 69.0 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.019 -1.051 . . . . 0.0 108.208 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.8 tpt180 -68.01 -49.69 60.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.93 -18.81 2.15 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.771 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.64 -39.05 46.51 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -32.85 71.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.829 -1.169 . . . . 0.0 108.83 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -76.4 -34.98 58.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 109.225 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 13.1 m-20 -76.15 -9.1 58.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.448 -0.782 . . . . 0.0 110.361 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 mt -98.63 -26.1 14.5 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.525 -1.36 . . . . 0.0 110.431 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 mtt -92.14 -6.55 50.56 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.797 -1.189 . . . . 0.0 109.934 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -89.21 10.17 23.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.002 -1.061 . . . . 0.0 110.169 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.3 -45.95 1.24 Allowed Glycine 0 N--CA 1.502 3.056 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -52.52 117.67 3.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -1.167 . . . . 0.0 108.32 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -90.03 -39.08 13.16 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.081 -1.012 . . . . 0.0 110.563 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -89.65 135.72 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.059 -1.026 . . . . 0.0 110.762 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.27 145.53 28.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 m -104.55 146.63 28.62 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.315 -0.866 . . . . 0.0 109.984 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.227 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 N--CA 1.497 1.925 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.46 141.72 28.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.959 -1.088 . . . . 0.0 108.159 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 38' ' ' THR . 82.4 p -97.59 164.71 12.31 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.25 -11.6 0.07 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.399 -1.438 . . . . 0.0 110.062 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 36' ' ' THR . 60.7 p -60.69 -26.92 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.057 -1.027 . . . . 0.0 110.044 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.422 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 53.1 p -128.3 54.0 1.77 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.377 -0.827 . . . . 0.0 109.804 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -80.14 -11.33 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.103 -0.998 . . . . 0.0 110.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.517 ' HG ' ' N ' ' A' ' 42' ' ' ASP . 76.7 p -72.65 -45.72 57.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.649 -1.282 . . . . 0.0 109.971 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.6 -35.95 66.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.258 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -63.95 -37.85 88.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.825 -1.172 . . . . 0.0 108.497 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -64.41 -45.51 87.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.927 . . . . 0.0 108.979 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.52 -42.61 98.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.776 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.51 -51.89 67.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 109.188 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mt -55.52 -44.64 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.28 -0.888 . . . . 0.0 109.184 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.32 -42.79 82.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.511 -0.743 . . . . 0.0 110.155 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.53 -29.48 66.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.279 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.492 1.675 0 O-C-N 120.84 -1.163 . . . . 0.0 109.899 -179.74 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -50.59 12.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.768 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -23.5 67.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.834 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.18 -55.11 6.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.055 -1.028 . . . . 0.0 109.689 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.36 71.03 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.105 -0.997 . . . . 0.0 108.613 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.82 -50.3 51.28 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.38 -18.54 2.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 108.474 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -37.73 48.43 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.524 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.08 74.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.745 -1.222 . . . . 0.0 109.031 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -76.85 -33.92 57.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.954 -1.092 . . . . 0.0 109.6 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 3.1 m-20 -76.39 -13.03 60.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.59 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 mt -96.21 -25.54 15.78 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.921 -1.112 . . . . 0.0 110.61 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 mtt -91.57 -6.49 52.3 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.175 . . . . 0.0 109.738 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -89.19 -5.44 57.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.883 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.83 -49.32 0.92 Allowed Glycine 0 N--CA 1.502 3.07 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -53.73 110.5 0.59 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.997 -1.296 . . . . 0.0 109.13 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG3' HH11 ' A' ' 22' ' ' ARG . 19.3 ttm-85 -80.32 -45.08 18.45 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.436 -0.79 . . . . 0.0 110.404 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 p -79.64 133.85 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.021 -1.05 . . . . 0.0 109.891 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.68 153.35 48.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.427 -0.796 . . . . 0.0 109.471 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -103.91 147.14 27.68 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.353 -0.842 . . . . 0.0 109.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.032 -1.043 . . . . 0.0 110.391 -179.318 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.935 0.398 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.55 142.09 27.84 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 78.2 p -103.52 162.84 12.71 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.73 -11.78 0.65 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.352 -1.467 . . . . 0.0 110.303 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 51.8 p -57.11 -28.23 62.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.3 p -129.96 54.84 1.82 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.352 -0.842 . . . . 0.0 109.894 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.75 -11.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.117 -0.99 . . . . 0.0 109.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 p -72.66 -46.23 54.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.67 -1.268 . . . . 0.0 109.931 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 16.6 p30 -55.59 -29.4 59.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 109.294 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -69.59 -39.85 77.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.814 -1.179 . . . . 0.0 108.675 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -62.22 -46.46 88.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -64.79 -40.97 96.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.04 -49.07 79.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 0.0 109.653 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.84 -53.01 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.42 66.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.419 -0.801 . . . . 0.0 110.598 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -57.45 -30.7 65.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.012 -1.055 . . . . 0.0 109.729 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.493 1.687 0 O-C-N 120.948 -1.095 . . . . 0.0 109.469 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -51.7 10.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.838 -1.164 . . . . 0.0 108.802 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.25 67.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 110.156 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.43 -55.55 5.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.974 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.05 -29.73 68.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.923 -1.11 . . . . 0.0 108.152 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.02 -49.59 56.33 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.63 -19.23 2.21 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.121 -0.987 . . . . 0.0 108.603 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.49 -40.91 48.86 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -30.62 64.79 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.604 -1.239 . . . . 0.0 108.464 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.78 -33.93 52.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.153 -0.967 . . . . 0.0 109.405 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 8.1 m-20 -75.68 -13.72 60.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 110.25 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.32 -23.88 15.92 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.128 -0.982 . . . . 0.0 110.226 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -8.58 46.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.95 -1.094 . . . . 0.0 109.152 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 p -90.67 -6.72 54.17 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.06 -1.025 . . . . 0.0 110.13 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.32 -48.37 0.97 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -49.66 113.49 0.85 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.945 -1.327 . . . . 0.0 108.506 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -84.07 -41.03 17.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 110.409 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.7 p -88.02 134.58 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.029 . . . . 0.0 110.456 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.75 143.09 28.43 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -104.27 146.7 28.42 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.278 -0.889 . . . . 0.0 110.074 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.88 . . . . 0.0 109.084 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -94.37 142.2 27.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.995 -1.066 . . . . 0.0 108.195 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.0 p -99.69 164.92 11.84 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -12.02 0.27 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.37 -1.456 . . . . 0.0 110.182 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 56.9 p -59.2 -28.64 66.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.113 -0.992 . . . . 0.0 110.058 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 25.8 p -129.93 54.84 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.427 -0.795 . . . . 0.0 109.814 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.09 -11.39 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.145 -0.972 . . . . 0.0 109.926 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 p -72.49 -43.16 64.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.766 -1.209 . . . . 0.0 109.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 9.5 p30 -56.12 -32.79 64.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.085 -1.009 . . . . 0.0 109.167 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.5 tp -67.79 -36.72 80.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.845 -1.16 . . . . 0.0 108.241 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.34 -47.19 80.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.867 . . . . 0.0 109.021 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -63.55 -41.78 98.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.314 -0.866 . . . . 0.0 110.128 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.72 -51.95 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 0.0 109.476 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.24 -45.23 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.43 77.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.53 -0.731 . . . . 0.0 110.468 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.41 -33.24 69.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.128 -0.982 . . . . 0.0 109.789 -179.184 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.113 . . . . 0.0 109.909 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.02 -49.98 12.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.806 -1.184 . . . . 0.0 108.898 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.31 24.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.82 6.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.03 66.54 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 7.5 tpt180 -67.48 -49.76 62.1 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.04 -18.58 2.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 0.0 108.574 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.9 -39.16 43.94 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.69 68.26 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.478 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -76.19 -32.64 59.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.127 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 9.4 m-20 -76.8 -24.42 52.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.773 . . . . 0.0 110.618 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.49 -24.83 31.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.866 -1.146 . . . . 0.0 110.578 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.79 -6.95 47.82 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.734 -1.229 . . . . 0.0 110.256 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -89.03 27.78 1.3 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.772 -1.205 . . . . 0.0 110.033 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.19 -34.66 3.22 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -70.2 110.05 4.99 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -89.75 -33.83 16.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.925 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.71 134.46 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.627 -1.296 . . . . 0.0 110.189 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -151.54 151.99 32.32 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.417 -0.802 . . . . 0.0 109.581 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -115.55 151.89 34.05 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.557 -0.714 . . . . 0.0 109.245 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.0 p . . . . . 0 N--CA 1.494 1.749 0 O-C-N 121.101 -1.0 . . . . 0.0 109.456 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.3 tm-20 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.087 0.47 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.29 144.19 43.65 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 61.6 p -108.67 169.14 8.85 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.54 -11.75 3.3 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.668 -1.27 . . . . 0.0 109.761 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 71.6 p -63.73 -21.57 66.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.1 p -129.52 54.2 1.85 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.52 -0.737 . . . . 0.0 109.847 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -82.32 -12.37 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.058 -1.027 . . . . 0.0 110.463 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.6 p -73.67 -49.87 23.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.596 -1.315 . . . . 0.0 109.809 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.37 -32.15 62.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.23 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.58 -37.29 84.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.737 -1.227 . . . . 0.0 108.331 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -65.81 -47.18 75.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 0.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -62.42 -42.62 99.58 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.226 -0.921 . . . . 0.0 109.891 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.48 -51.91 67.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.331 -0.856 . . . . 0.0 109.167 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mt -55.95 -47.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.203 -0.935 . . . . 0.0 109.182 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.39 72.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.48 -0.763 . . . . 0.0 110.064 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.22 -27.51 68.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.113 -0.992 . . . . 0.0 109.935 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 N--CA 1.493 1.717 0 O-C-N 120.996 -1.065 . . . . 0.0 109.854 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.41 -51.6 11.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.006 -1.059 . . . . 0.0 108.639 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -24.29 67.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.66 -55.44 5.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.51 -30.44 67.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.9 tpt180 -67.55 -49.2 64.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.87 -18.67 2.04 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.035 0.921 . . . . 0.0 108.758 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.02 -40.24 47.25 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -31.71 69.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.852 -1.155 . . . . 0.0 108.896 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -76.53 -30.97 57.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.02 -1.05 . . . . 0.0 109.185 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 22.4 m-20 -76.2 -12.71 60.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.413 -0.804 . . . . 0.0 110.334 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.54 -26.99 14.61 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.111 -0.993 . . . . 0.0 110.968 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 mtt -92.33 -6.16 50.79 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.876 -1.14 . . . . 0.0 109.633 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -89.1 -5.86 57.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.011 -1.056 . . . . 0.0 109.955 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.36 -48.67 0.96 Allowed Glycine 0 N--CA 1.502 3.059 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.47 120.01 6.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.973 -1.31 . . . . 0.0 108.974 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 16.5 ttm180 -89.11 -38.44 14.34 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.417 -0.802 . . . . 0.0 110.936 -178.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 p -81.6 138.13 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.054 -1.029 . . . . 0.0 110.547 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.7 151.97 35.83 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.424 -0.797 . . . . 0.0 109.271 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -122.5 152.72 40.04 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.417 -0.802 . . . . 0.0 109.791 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 179.748 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.848 0.356 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -127.15 147.89 50.18 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.49 -0.756 . . . . 0.0 109.795 178.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' THR . 70.5 p -96.94 163.0 13.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.558 -1.339 . . . . 0.0 108.107 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.434 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -48.25 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.411 -1.431 . . . . 0.0 110.083 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' THR . 58.9 p -60.38 -21.85 62.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.102 -0.999 . . . . 0.0 109.69 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 m -129.1 54.54 1.8 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.534 -0.729 . . . . 0.0 109.59 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -82.7 -11.62 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.054 -1.029 . . . . 0.0 110.46 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -73.34 -48.47 34.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.646 -1.283 . . . . 0.0 109.964 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' SER . 1.3 p-10 -55.24 -32.25 62.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 109.36 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.62 -38.02 83.33 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 108.544 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -64.69 -46.38 82.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 109.252 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.238 -0.913 . . . . 0.0 110.069 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.64 -51.97 67.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.93 -44.06 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.251 -0.906 . . . . 0.0 109.175 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.56 89.14 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.951 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.71 -27.69 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 110.152 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.493 1.686 0 O-C-N 120.975 -1.078 . . . . 0.0 110.048 -179.678 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.67 -48.89 15.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.942 -1.098 . . . . 0.0 108.917 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.52 -25.31 24.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.807 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.87 -56.26 4.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 109.937 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.12 65.5 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.57 -49.33 66.76 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.67 -19.09 2.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.259 -0.901 . . . . 0.0 108.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.95 -38.79 44.48 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.03 69.14 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 118.764 -1.175 . . . . 0.0 108.785 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -76.94 -32.45 57.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.026 -1.047 . . . . 0.0 109.225 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 47.1 m-20 -76.25 -16.48 59.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 0.0 110.422 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -94.84 -23.62 17.4 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.005 -1.059 . . . . 0.0 110.317 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -8.14 48.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.03 -1.044 . . . . 0.0 109.562 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.83 -5.13 57.18 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.967 -1.083 . . . . 0.0 110.011 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.21 -49.27 0.9 Allowed Glycine 0 N--CA 1.502 3.092 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -52.27 115.51 1.77 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 20.8 ttm180 -86.49 -39.62 16.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.339 -0.85 . . . . 0.0 110.954 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -79.42 134.04 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.919 -1.113 . . . . 0.0 110.577 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -148.85 152.56 36.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.454 -0.779 . . . . 0.0 109.31 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -117.79 152.66 34.86 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.576 -0.703 . . . . 0.0 109.538 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.191 -0.943 . . . . 0.0 109.458 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.5 tm-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.58 144.58 45.01 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.582 ' HG1' ' HG1' ' A' ' 38' ' ' THR . 70.4 p -109.59 161.96 14.87 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.61 -11.75 0.62 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.194 -1.566 . . . . 0.0 110.299 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.582 ' HG1' ' HG1' ' A' ' 36' ' ' THR . 82.4 p -62.08 -24.49 67.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.973 . . . . 0.0 109.784 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.46 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 97.9 p -129.1 54.74 1.78 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.468 -0.77 . . . . 0.0 109.814 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.72 -10.89 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 p -72.42 -47.62 47.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.661 -1.275 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 21.4 p-10 -55.39 -34.87 64.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.8 tp -65.27 -36.06 82.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.68 -1.262 . . . . 0.0 108.536 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.51 -44.08 83.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 109.223 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -66.89 -40.61 87.8 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.131 -0.981 . . . . 0.0 109.913 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.52 -52.07 67.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 109.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -53.52 -46.65 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.088 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -41.88 71.38 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -58.6 -29.33 66.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.164 -0.96 . . . . 0.0 110.236 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.904 -1.123 . . . . 0.0 109.979 -179.764 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.67 -46.45 21.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.881 -1.137 . . . . 0.0 108.937 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.64 66.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.508 -0.745 . . . . 0.0 110.038 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.29 4.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 110.105 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.85 -29.16 66.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.35 -49.74 52.74 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.38 -19.19 3.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.078 -1.014 . . . . 0.0 109.143 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.24 -37.63 32.65 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -27.33 68.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.896 -1.127 . . . . 0.0 109.042 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -76.82 -31.83 57.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.171 -0.955 . . . . 0.0 108.614 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -75.48 -34.54 60.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.549 -0.719 . . . . 0.0 110.172 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -75.17 -23.83 57.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.169 -0.957 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -10.36 49.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.845 -1.16 . . . . 0.0 109.399 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.55 -5.92 50.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.98 -1.075 . . . . 0.0 109.78 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.33 -42.7 1.47 Allowed Glycine 0 N--CA 1.502 3.05 0 N-CA-C 110.349 -1.101 . . . . 0.0 110.349 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 3.7 mptp? -49.67 103.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.998 -1.295 . . . . 0.0 109.053 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -76.32 -46.27 28.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 ' CG2' ' CD ' ' A' ' 34' ' ' GLU . 7.3 p -82.99 133.4 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.186 -0.946 . . . . 0.0 110.266 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.56 33.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.344 -0.848 . . . . 0.0 109.031 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.2 m -111.23 154.39 24.5 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.433 -0.792 . . . . 0.0 110.065 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.1 p . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.224 -0.922 . . . . 0.0 109.364 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' CG2' ' A' ' 23' ' ' VAL . 13.6 tt0 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.187 0.517 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -113.9 144.23 43.39 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.443 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 64.8 p -105.11 164.19 12.0 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.53 -11.54 0.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.307 -1.496 . . . . 0.0 110.06 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 78.6 p -63.99 -22.19 66.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.046 . . . . 0.0 110.072 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 53.1 p -128.82 53.79 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.361 -0.837 . . . . 0.0 110.14 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -82.42 -11.7 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.092 -1.005 . . . . 0.0 110.252 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.549 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 65.1 p -73.57 -50.08 23.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.666 -1.271 . . . . 0.0 109.968 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.549 ' H ' ' HG ' ' A' ' 41' ' ' SER . 1.2 p-10 -55.05 -31.3 61.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.308 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.05 -35.14 76.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.746 -1.221 . . . . 0.0 108.349 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -66.27 -47.28 74.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 108.865 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.229 -0.919 . . . . 0.0 109.802 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.42 -52.1 67.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.21 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.5 mt -54.5 -51.71 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 109.025 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.43 61.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.601 -0.687 . . . . 0.0 110.328 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.54 -27.1 68.74 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.176 -0.953 . . . . 0.0 110.029 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.98 -1.075 . . . . 0.0 109.983 -179.778 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.92 -49.46 14.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.996 -1.065 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.34 37.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.15 5.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.169 -0.957 . . . . 0.0 109.622 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.2 69.58 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.21 -50.6 45.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.46 -18.22 2.55 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.131 -0.981 . . . . 0.0 108.739 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -79.74 -36.88 36.66 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.575 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -32.83 73.37 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.797 -1.189 . . . . 0.0 109.051 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -76.24 -34.17 59.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 109.491 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 1.7 m-20 -76.53 -14.81 59.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.71 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -93.69 -24.94 17.67 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.826 -1.171 . . . . 0.0 110.542 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mtt -91.11 -6.53 53.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.73 -1.231 . . . . 0.0 109.749 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -89.37 -5.32 57.57 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.921 -1.112 . . . . 0.0 109.749 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.06 -49.7 0.91 Allowed Glycine 0 N--CA 1.503 3.139 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -53.39 108.85 0.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.288 . . . . 0.0 108.977 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -78.48 -46.09 20.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.445 -0.784 . . . . 0.0 110.479 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.93 133.68 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.017 -1.052 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.15 153.32 43.98 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -103.52 149.14 25.14 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.29 -0.881 . . . . 0.0 109.469 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.139 -0.976 . . . . 0.0 109.401 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 120.992 0.425 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -94.02 141.65 28.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.978 -1.076 . . . . 0.0 108.119 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 73.4 p -99.55 162.96 12.71 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.39 -12.12 0.63 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.205 -1.559 . . . . 0.0 110.376 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 60.2 p -57.75 -26.62 62.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.128 -0.982 . . . . 0.0 109.933 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 31.1 p -129.61 54.13 1.86 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.392 -0.817 . . . . 0.0 109.943 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.06 -11.41 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.041 -1.037 . . . . 0.0 110.1 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -72.91 -46.29 53.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.693 -1.254 . . . . 0.0 109.836 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.16 -35.21 64.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.099 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 13.8 tp -64.62 -38.7 91.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.907 -1.121 . . . . 0.0 108.818 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -64.41 -43.8 93.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.147 -0.971 . . . . 0.0 109.107 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.506 ' CB ' ' HZ2' ' A' ' 45' ' ' LYS . 7.6 ttpm? -64.94 -42.29 94.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.241 -0.912 . . . . 0.0 109.661 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.17 -51.82 67.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 0.0 109.21 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.09 -51.56 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.192 -0.942 . . . . 0.0 109.279 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.08 62.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.562 -0.711 . . . . 0.0 110.152 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -28.73 65.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.111 -0.993 . . . . 0.0 110.025 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.976 -179.671 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.14 -49.65 13.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.853 -1.154 . . . . 0.0 109.013 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.61 50.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.86 . . . . 0.0 109.773 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.81 -55.49 5.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.74 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.48 66.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.6 tpt180 -68.99 -49.92 53.54 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -18.57 2.05 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.067 0.937 . . . . 0.0 108.633 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.5 -42.15 36.76 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -28.0 61.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.668 -1.213 . . . . 0.0 108.378 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.238 -0.914 . . . . 0.0 109.292 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.25 -30.32 57.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 110.401 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.33 -23.69 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 110.087 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -12.67 30.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.955 -1.091 . . . . 0.0 109.716 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.69 -5.34 55.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.881 -1.137 . . . . 0.0 110.168 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.34 -50.2 0.89 Allowed Glycine 0 N--CA 1.502 3.091 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -51.84 102.03 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.943 -1.328 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -77.84 -42.41 33.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 110.827 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.39 133.87 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.886 -1.134 . . . . 0.0 110.043 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.41 37.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.362 -0.836 . . . . 0.0 109.081 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 m -105.43 139.28 40.29 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.419 -0.801 . . . . 0.0 109.969 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.971 . . . . 0.0 109.056 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.969 0.414 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.95 141.79 28.12 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.8 p -100.87 171.52 7.61 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.21 -11.7 0.8 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.739 -1.225 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 70.2 p -63.66 -25.84 68.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.258 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.1 p -127.95 53.81 1.76 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.921 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -79.82 -11.25 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 110.122 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.0 p -72.48 -46.7 53.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.75 -1.219 . . . . 0.0 109.841 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.79 -36.65 67.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.173 -0.954 . . . . 0.0 109.342 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.0 tp -63.44 -36.79 84.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.886 -1.134 . . . . 0.0 108.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -66.31 -44.65 82.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.213 -0.929 . . . . 0.0 109.022 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.83 -42.72 97.57 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.114 -0.991 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -58.64 -51.35 70.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.0 -53.59 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.75 63.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 110.733 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.37 -29.58 66.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.078 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 N--CA 1.494 1.774 0 O-C-N 120.892 -1.13 . . . . 0.0 109.836 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.75 -50.4 12.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 108.799 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.31 57.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 -55.01 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.14 -29.83 63.93 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.7 tpt180 -69.8 -50.42 43.23 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -18.13 2.86 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.182 -0.949 . . . . 0.0 108.821 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -78.88 -37.69 39.55 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -31.93 72.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.832 -1.168 . . . . 0.0 108.962 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -76.08 -32.1 59.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.026 -1.046 . . . . 0.0 109.378 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.25 -32.42 58.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.33 -0.856 . . . . 0.0 110.223 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.54 -25.6 57.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.965 -1.084 . . . . 0.0 110.915 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.1 mtt -91.08 -8.58 48.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.598 -1.314 . . . . 0.0 109.575 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.29 -6.06 51.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.045 -1.035 . . . . 0.0 109.702 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 129.96 -47.74 1.0 Allowed Glycine 0 N--CA 1.502 3.068 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 11.7 mptt -48.98 97.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.945 -1.327 . . . . 0.0 109.172 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' GLY . 30.1 ttm180 -69.76 -49.13 56.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.086 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.98 133.63 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.032 -1.042 . . . . 0.0 109.856 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.37 148.86 41.93 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -103.47 142.44 34.25 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.295 -0.878 . . . . 0.0 109.857 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 18.3 mp0 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 120.724 0.297 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.23 142.69 27.03 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' THR . 73.8 p -99.25 163.57 12.49 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.72 -11.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.429 -1.419 . . . . 0.0 110.211 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.2 p -65.58 -27.04 68.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.095 -1.003 . . . . 0.0 109.91 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 92.9 p -121.31 51.64 1.27 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.463 -0.773 . . . . 0.0 109.697 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -83.44 -11.77 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.186 -0.946 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -73.16 -49.14 29.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.615 -1.303 . . . . 0.0 109.755 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.3 p-10 -55.33 -32.54 62.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.51 -36.36 82.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.705 -1.247 . . . . 0.0 108.497 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -66.46 -44.6 82.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.314 -0.866 . . . . 0.0 109.247 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -41.98 94.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.12 -0.988 . . . . 0.0 109.67 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.97 -52.0 67.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.862 . . . . 0.0 108.956 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.1 mt -55.91 -45.01 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.34 -0.85 . . . . 0.0 109.161 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.55 69.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 0.0 110.285 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.71 -25.92 65.01 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.18 -0.95 . . . . 0.0 109.986 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.009 -1.057 . . . . 0.0 110.248 -179.633 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.75 -49.99 13.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.892 -1.13 . . . . 0.0 108.993 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.38 -24.3 54.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 0.0 109.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.78 -55.24 5.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 109.576 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -28.86 65.6 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.41 -50.2 34.26 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.81 2.17 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.159 0.98 . . . . 0.0 108.492 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.22 -41.94 47.62 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -30.58 64.44 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.557 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -76.99 -32.53 57.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.034 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.39 -25.84 54.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.494 -0.753 . . . . 0.0 110.459 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.2 mt -84.7 -23.36 29.39 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.052 -1.03 . . . . 0.0 110.409 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -8.12 49.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.014 -1.054 . . . . 0.0 109.873 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -90.34 -4.87 56.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.897 -1.127 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.82 -50.16 0.87 Allowed Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.49 110.18 0.48 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.975 -1.309 . . . . 0.0 108.491 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 12.2 ptp180 -83.2 -41.59 18.24 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.332 -0.855 . . . . 0.0 110.932 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 22' ' ' ARG . 14.5 p -79.44 134.23 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.973 -1.08 . . . . 0.0 110.112 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.93 43.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.525 -0.735 . . . . 0.0 109.247 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -104.05 151.5 23.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.342 -0.849 . . . . 0.0 109.599 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.042 -1.036 . . . . 0.0 110.207 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.502 2.136 0 CA-C-O 120.862 0.363 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.7 145.34 25.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.92 -1.112 . . . . 0.0 108.155 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.485 ' HG1' ' H ' ' A' ' 38' ' ' THR . 47.5 p -108.89 172.22 6.97 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -11.88 18.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.711 -1.243 . . . . 0.0 109.811 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.485 ' H ' ' HG1' ' A' ' 36' ' ' THR . 45.9 p -57.55 -25.27 59.68 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.195 -0.941 . . . . 0.0 110.21 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 3.9 t -133.46 55.61 1.89 Allowed 'General case' 0 N--CA 1.514 2.76 0 O-C-N 121.269 -0.894 . . . . 0.0 110.123 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.01 -11.31 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.981 -1.074 . . . . 0.0 109.651 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -72.58 -45.81 57.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.837 -1.164 . . . . 0.0 109.898 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.73 -36.07 66.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.0 109.311 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.1 tp -64.84 -35.2 80.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.835 -1.166 . . . . 0.0 108.68 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -66.66 -41.49 88.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.301 -0.874 . . . . 0.0 109.554 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -39.29 74.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.014 -1.054 . . . . 0.0 109.898 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -61.74 -45.12 95.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.198 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.19 -53.88 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.17 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.88 61.9 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.448 -0.783 . . . . 0.0 110.143 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.92 -29.17 66.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 109.901 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 N--CA 1.494 1.742 0 O-C-N 120.978 -1.076 . . . . 0.0 109.677 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.33 -48.95 18.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.876 -1.14 . . . . 0.0 108.961 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.16 -23.84 66.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.77 . . . . 0.0 109.627 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.65 5.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 0.0 110.033 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.14 -29.33 67.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.433 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.4 tpt180 -68.43 -50.02 55.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.01 -18.45 2.02 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.195 -0.941 . . . . 0.0 108.539 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.83 -41.4 44.36 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.08 64.75 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.495 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -77.08 -32.28 56.6 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.069 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.35 -27.87 56.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.54 -0.725 . . . . 0.0 110.419 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.0 -23.45 33.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.045 -1.034 . . . . 0.0 110.423 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -8.16 46.99 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.954 -1.091 . . . . 0.0 110.09 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.01 -4.9 57.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.753 -1.217 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.19 -50.0 0.88 Allowed Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -53.78 116.76 2.69 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.246 . . . . 0.0 108.181 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.545 HH11 ' CG ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -89.84 -35.06 15.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.126 -0.984 . . . . 0.0 111.311 -178.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 p -83.9 134.23 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.664 -1.272 . . . . 0.0 110.02 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.33 152.51 44.48 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.43 -0.794 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -106.52 144.1 33.69 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.373 -0.829 . . . . 0.0 109.7 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.954 -1.091 . . . . 0.0 109.568 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.5 2.059 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -94.27 141.66 28.3 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 58.4 p -100.87 171.6 7.56 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.14 -11.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.78 -1.2 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 76.8 p -65.03 -24.08 67.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 109.901 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 60.4 p -125.6 53.3 1.57 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.407 -0.808 . . . . 0.0 109.679 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -83.37 -12.69 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -0.961 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -73.3 -49.81 25.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.563 -1.336 . . . . 0.0 109.698 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.4 p-10 -55.44 -31.61 62.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.7 tp -65.58 -37.55 86.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.71 -1.244 . . . . 0.0 108.224 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -65.06 -46.36 81.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.923 . . . . 0.0 109.365 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -64.15 -41.95 96.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.901 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -57.94 -52.04 67.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.7 -48.31 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 0.0 109.347 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.43 -44.41 68.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.521 -0.737 . . . . 0.0 110.504 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.17 -29.44 65.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.141 -0.975 . . . . 0.0 110.328 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.789 -1.195 . . . . 0.0 109.804 -179.743 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t -63.84 -47.7 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.218 -0.926 . . . . 0.0 109.476 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -51.0 -38.37 50.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.271 -0.893 . . . . 0.0 109.379 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.0 -41.82 71.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 109.25 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.05 -48.76 42.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.49 -20.36 12.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.114 -0.991 . . . . 0.0 109.176 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.65 -50.11 13.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.947 -1.096 . . . . 0.0 108.976 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.59 46.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.01 5.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 109.585 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.02 68.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.48 -50.14 48.17 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.17 -18.76 2.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.189 -0.944 . . . . 0.0 108.482 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.16 -40.79 51.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.38 67.97 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.646 -1.222 . . . . 0.0 108.632 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -77.18 -33.13 56.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.094 -1.004 . . . . 0.0 109.362 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 12.3 m-20 -76.19 -17.59 59.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.454 -0.779 . . . . 0.0 110.453 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -93.23 -23.48 18.52 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.928 -1.108 . . . . 0.0 110.385 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -7.84 51.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.388 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.36 -5.5 56.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.879 -1.138 . . . . 0.0 110.095 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.03 -48.85 0.93 Allowed Glycine 0 N--CA 1.503 3.157 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.45 112.75 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.937 -1.331 . . . . 0.0 108.765 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 15.3 ttm180 -82.35 -42.62 18.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.487 -0.758 . . . . 0.0 110.664 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 134.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.05 -1.031 . . . . 0.0 110.263 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.61 152.71 47.03 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.453 -0.779 . . . . 0.0 109.273 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 m -104.84 149.53 25.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.333 -0.854 . . . . 0.0 109.606 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 p -146.22 128.34 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.067 -1.021 . . . . 0.0 110.161 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.702 HE22 ' HE ' ' A' ' 32' ' ' ARG . 28.8 mm-40 -84.97 116.62 23.48 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' NZ ' ' CZ ' ' A' ' 46' ' ' TYR . 55.6 tttp -131.29 114.68 15.32 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.374 -0.829 . . . . 0.0 109.723 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.27 35.71 23.44 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.398 -1.439 . . . . 0.0 109.342 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.84 8.21 60.39 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -118.51 131.98 56.23 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.436 -1.038 . . . . 0.0 109.191 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HE ' HE22 ' A' ' 27' ' ' GLN . 88.1 mtt180 -88.72 146.28 25.14 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.582 0.706 . . . . 0.0 111.334 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.46 146.35 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.48 102.37 10.24 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.805 -0.56 . . . . 0.0 111.03 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -95.13 144.51 25.7 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.972 -1.08 . . . . 0.0 108.188 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 60.9 p -107.94 162.03 14.39 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.21 -11.89 0.21 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.401 -1.437 . . . . 0.0 110.357 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 69.7 p -60.4 -26.18 66.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.077 -1.014 . . . . 0.0 109.996 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 47.7 p -128.31 53.92 1.78 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.365 -0.834 . . . . 0.0 109.838 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -79.2 -11.24 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.166 -0.959 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.3 p -72.36 -46.99 52.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.689 -1.257 . . . . 0.0 109.728 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.69 -36.8 67.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.342 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tp -63.29 -35.93 81.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.811 -1.181 . . . . 0.0 108.75 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -67.0 -40.99 87.44 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.566 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -71.17 -39.26 71.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.059 -1.026 . . . . 0.0 109.842 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 50.4 t80 -60.01 -51.14 70.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 109.122 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -52.58 -52.13 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.096 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.39 62.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 110.012 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.5 -26.39 63.4 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 110.072 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.95 -32.12 39.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.994 -1.066 . . . . 0.0 110.129 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -68.28 -27.37 66.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.908 -1.12 . . . . 0.0 108.986 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.6 -28.51 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.221 -0.924 . . . . 0.0 109.227 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.64 -30.35 52.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.219 -0.925 . . . . 0.0 109.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -84.41 15.16 3.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.95 . . . . 0.0 108.964 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.74 -63.32 1.28 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 56' ' ' MET . 4.3 mpp? -76.14 155.86 34.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.206 -1.173 . . . . 0.0 109.486 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -72.04 24.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 0.0 109.873 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' A' ' 56' ' ' MET . 26.8 tt0 71.23 -53.06 0.68 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.605 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 67.25 -70.03 0.12 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -170.8 -154.8 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.907 . . . . 0.0 109.421 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -51.68 178.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.567 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.426 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 46.2 t -148.19 -39.26 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.79 -33.2 34.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.361 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -59.95 -50.21 74.64 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.291 -0.88 . . . . 0.0 109.385 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 21.9 mp0 -69.28 -48.21 62.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -0.851 . . . . 0.0 109.677 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 4.2 mp0 -57.93 -19.07 27.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.962 . . . . 0.0 109.522 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.42 -50.44 14.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.844 -1.16 . . . . 0.0 108.973 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.35 67.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.373 -0.83 . . . . 0.0 109.567 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.55 -55.06 5.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.63 -28.95 64.15 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.92 -50.11 45.42 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.38 -18.64 2.71 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.102 -0.999 . . . . 0.0 108.514 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.61 -40.06 50.57 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -32.5 70.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.813 -1.179 . . . . 0.0 108.777 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -77.02 -33.52 57.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.405 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 16.7 m-20 -76.16 -13.71 60.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 110.525 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.86 -26.33 16.23 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.974 -1.079 . . . . 0.0 110.618 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 mtt -92.25 -6.26 50.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.721 -1.237 . . . . 0.0 109.749 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -5.84 56.96 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.944 -1.097 . . . . 0.0 109.996 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.23 -50.16 0.9 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -55.36 115.76 2.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.952 -1.323 . . . . 0.0 108.813 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -83.11 -41.68 18.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.356 -0.84 . . . . 0.0 110.614 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.31 134.17 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.956 -1.09 . . . . 0.0 109.942 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.66 151.84 51.84 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -105.11 141.52 36.51 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.343 -0.848 . . . . 0.0 109.799 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.25 129.46 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.072 -1.018 . . . . 0.0 109.77 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -82.93 123.59 29.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' GLY . 62.8 tttm -136.17 140.24 43.45 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.425 -0.797 . . . . 0.0 108.854 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 2.5 p30 42.85 25.96 0.06 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.824 -1.173 . . . . 0.0 110.253 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 90.56 -34.28 4.25 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -89.41 142.35 27.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.14 -1.212 . . . . 0.0 109.611 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -92.94 147.68 22.63 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.787 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.06 147.46 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -110.37 103.55 12.21 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.887 -0.508 . . . . 0.0 110.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.84 143.48 26.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.874 -1.141 . . . . 0.0 108.348 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 59.6 p -102.89 162.24 13.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.33 -11.55 0.53 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.348 -1.47 . . . . 0.0 110.518 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 50.7 p -57.18 -28.59 62.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.033 -1.042 . . . . 0.0 110.16 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.8 p -130.15 54.93 1.83 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.323 -0.861 . . . . 0.0 109.852 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.77 -11.57 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.053 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -72.34 -44.18 63.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.719 -1.238 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 12.6 p30 -55.74 -30.58 61.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 0.0 109.192 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.02 -36.06 74.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.799 -1.188 . . . . 0.0 108.235 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -64.43 -47.66 78.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.287 -0.883 . . . . 0.0 109.146 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.83 -42.37 99.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 110.051 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.0 -51.43 70.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.165 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.86 -50.2 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.272 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.0 63.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.475 -0.765 . . . . 0.0 110.437 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.83 -28.52 66.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.153 -0.967 . . . . 0.0 110.739 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.57 -32.87 28.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.859 -1.15 . . . . 0.0 110.538 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -62.88 -29.86 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.731 -1.23 . . . . 0.0 109.039 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -83.45 -30.41 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.356 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.09 -37.1 34.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 109.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 56' ' ' MET . 2.6 m -91.91 30.69 1.35 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.133 -0.98 . . . . 0.0 109.393 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.94 30.84 0.92 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.578 ' SD ' ' N ' ' A' ' 56' ' ' MET . 0.7 OUTLIER -72.21 143.93 48.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -1.184 . . . . 0.0 109.43 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -174.87 55.23 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 0.0 109.377 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -82.75 -170.58 3.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.205 -0.935 . . . . 0.0 109.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -167.05 81.64 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.418 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.88 158.45 22.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.566 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.0 OUTLIER 57.5 98.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.911 . . . . 0.0 109.41 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 118.042 -1.421 . . . . 0.0 109.596 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.307 0.575 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.37 -20.56 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' A' ' 3' ' ' ARG . 3.4 mtt-85 -65.91 -29.13 69.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -41.58 99.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.868 . . . . 0.0 109.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -73.86 -48.56 30.23 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.724 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -20.49 12.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.053 -1.029 . . . . 0.0 109.088 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -77.48 -50.05 13.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.953 -1.092 . . . . 0.0 108.857 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.21 61.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.465 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.77 -54.95 5.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.563 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.03 -30.41 68.0 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.3 tpt180 -68.79 -50.09 53.17 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.22 3.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.154 -0.966 . . . . 0.0 108.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -79.4 -36.83 38.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -29.37 70.44 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.816 -1.154 . . . . 0.0 108.944 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.9 -32.06 57.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.076 -1.015 . . . . 0.0 109.036 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.77 -34.8 60.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.127 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.26 -23.53 57.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.656 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -8.81 50.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.875 -1.141 . . . . 0.0 109.465 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -94.37 -6.16 44.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.04 -1.038 . . . . 0.0 109.925 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.25 -46.3 1.09 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 12.0 mptt -47.94 99.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.085 -1.244 . . . . 0.0 109.141 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' HG3' HH11 ' A' ' 22' ' ' ARG . 15.5 ttm-85 -72.41 -49.12 36.02 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.362 -0.836 . . . . 0.0 110.092 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.84 134.33 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 110.101 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.0 44.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.358 -0.839 . . . . 0.0 108.984 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 m -104.22 154.35 19.87 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.32 -0.863 . . . . 0.0 109.846 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.71 130.91 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 109.868 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.593 ' NE2' ' H ' ' A' ' 27' ' ' GLN . 1.8 mp0 -85.68 118.04 24.94 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -133.76 114.6 13.58 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.257 -0.902 . . . . 0.0 109.658 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.79 44.58 28.24 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.356 -1.465 . . . . 0.0 109.422 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.6 63.95 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -135.28 131.99 37.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.426 -1.044 . . . . 0.0 108.922 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -91.59 145.19 24.8 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.59 0.709 . . . . 0.0 111.495 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.0 t -143.19 145.61 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -112.34 102.38 10.52 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.83 -0.544 . . . . 0.0 110.904 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -95.42 145.96 24.76 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.866 -1.146 . . . . 0.0 108.673 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.441 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 67.3 p -110.48 162.01 15.11 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.69 -11.89 0.44 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.241 -1.537 . . . . 0.0 110.307 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.441 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 68.7 p -61.03 -25.75 67.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.022 -1.048 . . . . 0.0 110.13 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 36.6 p -129.57 54.47 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.325 -0.859 . . . . 0.0 110.025 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.87 -11.84 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.089 -1.007 . . . . 0.0 110.253 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.8 p -73.45 -46.12 50.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.577 -1.327 . . . . 0.0 110.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 17.5 p30 -55.17 -29.24 57.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.095 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.59 -37.3 73.88 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.802 -1.187 . . . . 0.0 108.271 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -63.03 -48.57 78.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.219 -0.926 . . . . 0.0 109.012 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -61.24 -42.89 99.4 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 110.092 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.17 -52.17 66.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -53.81 -51.45 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.097 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -41.62 63.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.548 -0.72 . . . . 0.0 110.082 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -58.63 -27.56 64.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.141 -0.975 . . . . 0.0 110.204 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -83.17 -30.73 27.59 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.982 -1.074 . . . . 0.0 110.218 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.99 -1.069 . . . . 0.0 109.684 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.9 t -84.04 -28.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 109.763 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.92 -37.02 48.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 109.876 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -86.06 18.36 3.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 0.0 109.605 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.15 71.87 0.49 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -169.88 133.31 1.2 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -1.15 . . . . 0.0 109.558 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.4 p -153.65 -10.86 0.15 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.25 -0.906 . . . . 0.0 109.4 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -83.73 -35.63 24.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 50.92 61.41 3.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.219 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 47.93 -127.81 1.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 51.41 1.15 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.039 -1.423 . . . . 0.0 109.546 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.4 t -58.6 -30.48 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.0 109.564 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -69.6 -27.65 65.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.431 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -73.16 -35.97 66.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.16 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -74.56 -48.82 24.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 110.143 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -58.88 -20.01 47.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.092 -1.005 . . . . 0.0 109.531 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.54 -50.3 12.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 109.013 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -27.01 63.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.28 -54.81 6.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -28.98 59.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.95 -49.9 40.43 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.04 -18.63 2.17 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.088 -1.007 . . . . 0.0 108.548 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.33 -42.94 43.3 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -31.29 63.88 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.705 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -76.45 -33.7 58.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.05 . . . . 0.0 109.425 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -76.84 -24.94 52.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 110.491 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.87 -26.36 34.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.959 -1.088 . . . . 0.0 110.596 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.2 mtt -92.54 -8.17 45.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.706 -1.246 . . . . 0.0 109.635 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.506 ' H ' ' HG1' ' A' ' 19' ' ' THR . 2.6 p -92.7 -6.04 50.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.999 -1.063 . . . . 0.0 109.967 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.42 -50.86 0.87 Allowed Glycine 0 N--CA 1.504 3.169 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -50.8 93.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.95 -1.323 . . . . 0.0 108.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLY . 63.7 mtm180 -68.05 -50.99 51.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.594 -0.691 . . . . 0.0 109.792 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -77.95 133.87 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.045 -1.034 . . . . 0.0 109.57 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.57 152.47 50.51 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -103.64 144.6 31.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.298 -0.876 . . . . 0.0 109.847 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p -145.57 128.55 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.122 -0.986 . . . . 0.0 110.034 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -83.08 116.59 22.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -133.92 129.52 36.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.325 -0.859 . . . . 0.0 109.592 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 31' ' ' ARG . 20.6 m-20 52.31 31.08 8.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.323 -1.486 . . . . 0.0 109.345 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.36 -27.85 2.4 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -89.81 141.42 28.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.236 -1.155 . . . . 0.0 109.196 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -94.8 147.6 23.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.87 -0.519 . . . . 0.0 109.684 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.27 147.17 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.43 102.87 11.2 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.791 -0.568 . . . . 0.0 110.899 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.45 143.71 26.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.807 -1.183 . . . . 0.0 108.205 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.44 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 57.0 p -105.96 169.81 8.27 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.76 -11.54 1.45 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.668 -1.27 . . . . 0.0 109.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.44 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 76.0 p -63.75 -23.93 67.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.223 -0.923 . . . . 0.0 110.225 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 38.6 p -129.39 54.18 1.84 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.1 -11.62 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.137 -0.977 . . . . 0.0 110.236 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 p -72.52 -46.87 52.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.695 -1.253 . . . . 0.0 109.876 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.67 -37.08 67.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 0.0 109.497 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.7 tp -63.58 -36.2 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.799 -1.188 . . . . 0.0 108.608 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.16 -43.39 87.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.235 -0.916 . . . . 0.0 109.232 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.61 -40.82 84.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -59.12 -51.56 69.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.0 109.148 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.44 -53.17 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.902 . . . . 0.0 109.2 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.3 -40.32 64.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.506 -0.746 . . . . 0.0 110.049 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.37 -27.05 63.86 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.143 -0.973 . . . . 0.0 109.986 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -81.18 -31.16 34.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.969 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.23 -30.69 71.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.98 -1.075 . . . . 0.0 109.236 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.24 -29.57 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -79.74 -37.07 36.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -97.84 14.46 27.01 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.91 95.56 1.42 Allowed Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -78.61 163.06 25.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -1.119 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 p -78.97 135.7 37.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 0.0 109.44 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ARG . 30.0 tt0 -81.01 115.15 20.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.658 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.428 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 56.54 105.6 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.656 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -171.15 48.5 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.453 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -77.71 -40.25 41.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.244 -0.91 . . . . 0.0 109.38 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.535 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mmm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.3 t -147.65 -39.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.259 -0.901 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -53.21 -21.25 4.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.324 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -72.12 -50.54 27.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.283 -0.886 . . . . 0.0 108.885 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.28 -41.49 80.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.486 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.02 -18.48 64.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.24 -46.72 26.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 108.982 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.43 67.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.479 -0.763 . . . . 0.0 109.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.47 -55.86 5.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.135 -0.978 . . . . 0.0 109.903 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.16 -28.76 63.06 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.73 -50.29 31.48 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.316 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.25 -18.55 4.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.944 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.63 38.71 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -28.1 68.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.802 -1.186 . . . . 0.0 108.961 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -76.8 -32.62 57.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.998 -1.064 . . . . 0.0 108.977 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.5 -34.75 60.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -74.81 -23.52 58.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.084 -1.01 . . . . 0.0 110.594 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.04 53.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.801 -1.187 . . . . 0.0 109.689 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -93.93 -5.61 47.43 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.943 -1.098 . . . . 0.0 109.973 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 126.01 -45.5 1.15 Allowed Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 11.8 mptt -47.97 98.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 0.0 108.808 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 11.9 ptp180 -73.91 -46.01 47.07 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 110.488 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' A' ' 22' ' ' ARG . 8.1 p -83.93 133.12 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.887 -1.133 . . . . 0.0 110.1 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.36 153.15 42.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.37 -0.831 . . . . 0.0 109.008 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -103.14 154.05 19.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.89 132.52 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.139 -0.976 . . . . 0.0 110.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -83.65 117.95 23.53 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -129.89 116.27 18.41 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.277 -0.889 . . . . 0.0 109.81 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.2 t70 53.53 34.1 17.68 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.397 -1.439 . . . . 0.0 109.762 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.09 30.82 67.16 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -140.33 135.61 32.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -1.133 . . . . 0.0 109.039 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -87.95 141.02 28.91 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.605 0.717 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -143.65 145.76 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -114.16 102.78 10.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.772 -0.58 . . . . 0.0 111.295 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -95.17 143.49 26.56 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.809 -1.182 . . . . 0.0 107.884 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.439 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 73.2 p -104.49 167.37 9.78 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.59 -11.41 0.56 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.518 -1.364 . . . . 0.0 109.862 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.439 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 71.4 p -63.87 -23.08 67.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 110.146 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.6 p -129.81 54.13 1.87 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.349 -0.844 . . . . 0.0 110.182 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.83 -12.23 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.052 -1.03 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -74.11 -46.47 42.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.571 -1.331 . . . . 0.0 110.156 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 23.1 p30 -55.11 -27.63 46.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.096 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.2 tp -73.34 -35.52 66.02 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.845 -1.159 . . . . 0.0 108.395 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -63.91 -46.37 85.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.905 . . . . 0.0 109.521 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -40.44 91.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 110.084 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.14 -45.91 91.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.152 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 67.7 mt -56.4 -53.91 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.225 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.06 -40.2 66.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 -28.76 65.33 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.125 -0.984 . . . . 0.0 110.189 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt -78.29 -33.33 49.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.904 -1.122 . . . . 0.0 109.922 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -62.2 -28.96 70.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.942 -1.099 . . . . 0.0 108.935 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.41 -29.35 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.17 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -79.3 -37.07 38.6 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.075 -1.016 . . . . 0.0 109.163 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.459 ' H ' ' HG1' ' A' ' 54' ' ' THR . 2.4 p -94.88 18.65 11.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.208 -0.932 . . . . 0.0 109.052 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.07 98.42 0.12 Allowed Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.8 mtt -88.75 75.37 8.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.268 -1.137 . . . . 0.0 109.348 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' GLN . 24.0 m 52.1 74.9 0.24 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.906 . . . . 0.0 109.466 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 57' ' ' THR . 8.3 tt0 61.17 134.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.789 0.804 . . . . 0.0 109.623 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -92.42 128.54 38.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.533 -0.73 . . . . 0.0 109.761 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -167.06 -113.76 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 109.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 54.03 73.35 0.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.01 -1.056 . . . . 0.0 109.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.526 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.93 -24.16 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.431 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.567 ' CG ' HH11 ' A' ' 3' ' ' ARG . 3.8 mtt-85 -61.08 -33.9 74.06 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.908 . . . . 0.0 109.469 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.81 -50.6 71.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.76 78.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 109.645 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.71 -19.47 50.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.106 -0.996 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.42 -50.0 13.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.845 -1.159 . . . . 0.0 108.942 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.89 54.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 109.425 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -55.01 5.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.858 . . . . 0.0 109.685 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.29 67.66 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.1 tpt180 -69.11 -50.27 49.56 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.45 -18.43 2.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.82 -38.84 45.45 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -31.44 70.33 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.678 -1.209 . . . . 0.0 108.709 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -77.03 -33.21 57.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.0 109.417 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 14.0 m-20 -75.91 -17.75 59.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.505 -0.747 . . . . 0.0 110.47 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -92.78 -23.88 18.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.902 -1.124 . . . . 0.0 110.344 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -8.02 50.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.117 . . . . 0.0 109.622 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -90.36 -5.33 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.846 -1.159 . . . . 0.0 110.072 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.44 -50.48 0.88 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -51.61 108.51 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.285 . . . . 0.0 108.741 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 41.3 ttp180 -79.68 -45.14 19.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.391 -0.818 . . . . 0.0 110.718 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.19 133.99 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.029 -1.044 . . . . 0.0 110.044 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.69 152.26 43.73 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.442 -0.786 . . . . 0.0 109.271 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -104.62 152.47 22.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.427 -0.796 . . . . 0.0 109.614 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 p -146.62 128.86 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.111 -0.993 . . . . 0.0 109.841 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -84.69 99.16 10.64 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -106.85 115.4 30.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.471 -0.768 . . . . 0.0 109.509 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 56.34 28.44 13.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.327 -1.483 . . . . 0.0 109.354 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.19 -23.3 9.83 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.27 139.19 31.82 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.048 -1.266 . . . . 0.0 109.02 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.84 144.85 25.31 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.438 0.637 . . . . 0.0 109.881 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.85 145.73 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.27 102.53 11.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.811 -0.555 . . . . 0.0 110.772 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.58 145.18 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.801 -1.187 . . . . 0.0 108.707 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 73.4 p -108.55 160.86 15.58 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.04 -11.41 0.45 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 75.4 p -59.7 -26.71 65.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.055 -1.028 . . . . 0.0 110.031 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 43.3 p -129.36 54.49 1.82 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.375 -0.828 . . . . 0.0 109.877 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -79.93 -11.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.195 -0.941 . . . . 0.0 110.319 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 39.4 p -73.28 -43.86 60.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.601 -1.312 . . . . 0.0 109.965 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.9 p30 -55.54 -33.11 63.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.967 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -68.12 -35.21 77.76 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.919 -1.113 . . . . 0.0 108.538 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -65.5 -44.55 86.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.289 -0.882 . . . . 0.0 109.329 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -66.96 -40.55 87.54 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.088 -1.008 . . . . 0.0 109.976 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.22 -51.91 67.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 0.0 109.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -53.84 -51.13 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.01 65.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.557 -0.714 . . . . 0.0 110.07 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.41 -27.05 63.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.87 -32.29 40.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.974 -1.079 . . . . 0.0 110.095 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -68.4 -27.67 66.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.978 -1.076 . . . . 0.0 109.022 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.6 t -80.88 -29.11 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.186 -0.946 . . . . 0.0 109.214 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -79.31 -34.18 42.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.154 -0.967 . . . . 0.0 109.448 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -90.67 16.95 8.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.246 -0.909 . . . . 0.0 109.051 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.09 -86.89 1.01 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.23 138.39 4.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -1.058 . . . . 0.0 110.022 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -83.31 137.67 33.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.341 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.99 129.84 41.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.0 109.446 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -151.35 -65.11 0.18 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -58.87 125.25 22.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 109.373 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -161.34 40.59 0.15 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.419 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.583 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t -147.85 -22.81 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.288 -0.882 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -62.88 -32.95 74.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.45 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -59.18 -50.76 72.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 0.0 109.303 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 22.2 mp0 -65.39 -44.76 86.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.25 -18.78 17.79 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.175 -0.953 . . . . 0.0 109.473 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.14 -52.38 9.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.882 -1.136 . . . . 0.0 108.631 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.87 67.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.007 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.74 -54.84 6.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.25 -28.92 67.15 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.479 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.09 -49.85 40.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.333 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.89 2.22 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.139 -0.976 . . . . 0.0 108.621 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.22 -41.02 42.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -32.08 66.37 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 118.658 -1.217 . . . . 0.0 108.666 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.83 -33.77 57.91 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.026 -1.046 . . . . 0.0 109.387 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.22 -12.6 60.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.754 . . . . 0.0 110.479 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.43 -26.09 15.45 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.5 mtt -92.5 -7.15 48.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.796 -1.19 . . . . 0.0 109.673 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' A' ' 19' ' ' THR . 3.1 p -89.49 -6.08 56.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.936 -1.102 . . . . 0.0 110.044 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.85 -49.78 0.91 Allowed Glycine 0 N--CA 1.502 3.067 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -52.69 111.53 0.67 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.946 -1.326 . . . . 0.0 108.683 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -81.15 -43.27 19.61 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.198 -0.938 . . . . 0.0 110.229 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 p -85.73 134.96 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.126 -0.984 . . . . 0.0 110.208 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.4 151.85 42.24 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.452 -0.78 . . . . 0.0 108.917 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -109.93 140.26 44.12 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.371 -0.831 . . . . 0.0 109.875 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.43 143.44 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.112 -0.992 . . . . 0.0 109.103 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -82.8 121.85 27.45 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 31' ' ' ARG . 85.8 tttt -137.45 137.7 39.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.191 -0.943 . . . . 0.0 109.469 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 31' ' ' ARG . 47.7 t0 50.71 30.49 5.02 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.44 -1.413 . . . . 0.0 109.459 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.91 -29.4 2.41 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' LYS . 4.5 tpp180 -97.84 139.82 33.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.332 -1.099 . . . . 0.0 109.249 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -86.95 146.74 26.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.467 0.651 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.9 t -142.61 147.8 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -106.25 103.79 13.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.92 -0.487 . . . . 0.0 110.587 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.09 142.54 27.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.877 -1.14 . . . . 0.0 108.193 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 38' ' ' THR . 75.3 p -101.35 161.69 13.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -11.43 0.09 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.435 -1.415 . . . . 0.0 110.387 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 36' ' ' THR . 72.7 p -61.49 -26.82 68.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.048 -1.032 . . . . 0.0 110.027 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.4 p -128.75 53.87 1.82 Allowed 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.47 -0.769 . . . . 0.0 110.011 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -78.44 -10.84 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.07 -1.019 . . . . 0.0 109.997 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.521 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 66.8 p -71.94 -46.72 56.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.681 -1.262 . . . . 0.0 109.864 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.521 ' H ' ' HG ' ' A' ' 41' ' ' SER . 2.7 p30 -55.69 -35.88 66.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 0.0 109.411 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.0 tp -64.3 -35.86 82.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.756 -1.215 . . . . 0.0 108.415 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -66.5 -45.07 80.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 109.012 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -65.01 -42.12 94.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.17 -49.56 77.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.18 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 69.1 mt -55.19 -53.35 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.161 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.02 69.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.503 -0.748 . . . . 0.0 110.418 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -58.17 -28.24 64.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.987 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -78.94 -31.69 45.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.948 -1.095 . . . . 0.0 109.994 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -62.42 -32.88 73.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.957 -1.089 . . . . 0.0 109.105 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.99 -32.2 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.121 -0.987 . . . . 0.0 109.609 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -80.74 -36.67 31.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.965 -1.084 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -92.94 16.3 12.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.27 -0.894 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.34 65.62 2.36 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mmt -98.14 144.52 27.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.261 -1.141 . . . . 0.0 109.328 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.9 p -153.57 82.42 1.17 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.2 -0.938 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -160.55 85.35 0.71 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.236 -0.915 . . . . 0.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.531 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 50.15 -174.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -162.67 -22.66 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.188 -0.945 . . . . 0.0 109.747 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 53.59 -150.5 0.37 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.131 -0.981 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.506 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.12 -31.25 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.909 . . . . 0.0 109.547 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -58.6 -33.33 69.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -61.03 -50.47 73.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.165 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.97 -47.09 78.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.518 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -54.7 -18.53 4.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -52.32 9.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.009 -1.057 . . . . 0.0 108.692 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.78 -23.86 67.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -55.3 5.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.881 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.47 69.0 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.019 -1.051 . . . . 0.0 108.208 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.8 tpt180 -68.01 -49.69 60.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.93 -18.81 2.15 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.771 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.64 -39.05 46.51 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -32.85 71.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.829 -1.169 . . . . 0.0 108.83 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -76.4 -34.98 58.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 109.225 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 13.1 m-20 -76.15 -9.1 58.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.448 -0.782 . . . . 0.0 110.361 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 mt -98.63 -26.1 14.5 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.525 -1.36 . . . . 0.0 110.431 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 mtt -92.14 -6.55 50.56 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.797 -1.189 . . . . 0.0 109.934 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -89.21 10.17 23.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.002 -1.061 . . . . 0.0 110.169 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.3 -45.95 1.24 Allowed Glycine 0 N--CA 1.502 3.056 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -52.52 117.67 3.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -1.167 . . . . 0.0 108.32 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -90.03 -39.08 13.16 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.081 -1.012 . . . . 0.0 110.563 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -89.65 135.72 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.059 -1.026 . . . . 0.0 110.762 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.27 145.53 28.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 m -104.55 146.63 28.62 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.315 -0.866 . . . . 0.0 109.984 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.32 135.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.227 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -82.19 116.05 21.56 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -107.54 144.81 34.01 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.51 89.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.789 -1.194 . . . . 0.0 109.636 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 142.72 -50.95 0.69 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.4 149.09 2.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.083 -1.245 . . . . 0.0 109.527 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -79.08 144.03 34.98 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.9 t -143.7 148.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.096 -1.002 . . . . 0.0 109.243 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -103.22 103.24 13.26 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.81 -0.556 . . . . 0.0 110.554 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.46 141.72 28.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.959 -1.088 . . . . 0.0 108.159 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 38' ' ' THR . 82.4 p -97.59 164.71 12.31 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.25 -11.6 0.07 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.399 -1.438 . . . . 0.0 110.062 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 36' ' ' THR . 60.7 p -60.69 -26.92 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.057 -1.027 . . . . 0.0 110.044 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.422 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 53.1 p -128.3 54.0 1.77 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.377 -0.827 . . . . 0.0 109.804 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -80.14 -11.33 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.103 -0.998 . . . . 0.0 110.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.517 ' HG ' ' N ' ' A' ' 42' ' ' ASP . 76.7 p -72.65 -45.72 57.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.649 -1.282 . . . . 0.0 109.971 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.6 -35.95 66.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.258 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -63.95 -37.85 88.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.825 -1.172 . . . . 0.0 108.497 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -64.41 -45.51 87.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.927 . . . . 0.0 108.979 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.52 -42.61 98.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.776 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.51 -51.89 67.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 109.188 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mt -55.52 -44.64 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.28 -0.888 . . . . 0.0 109.184 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.32 -42.79 82.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.511 -0.743 . . . . 0.0 110.155 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.53 -29.48 66.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.279 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -80.12 -32.1 39.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.84 -1.163 . . . . 0.0 109.899 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.85 -31.39 70.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.915 -1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.5 -29.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.285 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -79.26 -35.54 41.27 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.062 -1.024 . . . . 0.0 109.882 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -83.15 30.4 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.171 -0.956 . . . . 0.0 109.373 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.94 47.96 0.76 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.1 ttp -165.68 128.98 2.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -1.146 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.2 p -147.58 142.75 27.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.266 -0.896 . . . . 0.0 109.37 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.24 134.6 49.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.152 -0.968 . . . . 0.0 109.49 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -150.99 128.43 11.37 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -150.73 154.18 36.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.226 -0.921 . . . . 0.0 109.251 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 53.51 89.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.292 -0.88 . . . . 0.0 109.468 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mmm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.5 -38.36 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -50.78 -26.76 6.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.364 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.0 -47.62 82.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.335 -0.853 . . . . 0.0 109.673 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -54.71 -19.09 5.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.575 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -50.59 12.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.768 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -23.5 67.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.834 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.18 -55.11 6.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.055 -1.028 . . . . 0.0 109.689 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -30.36 71.03 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.105 -0.997 . . . . 0.0 108.613 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.82 -50.3 51.28 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.38 -18.54 2.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 108.474 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -37.73 48.43 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.524 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.08 74.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.745 -1.222 . . . . 0.0 109.031 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -76.85 -33.92 57.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.954 -1.092 . . . . 0.0 109.6 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 3.1 m-20 -76.39 -13.03 60.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.59 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 mt -96.21 -25.54 15.78 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.921 -1.112 . . . . 0.0 110.61 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 mtt -91.57 -6.49 52.3 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.175 . . . . 0.0 109.738 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -89.19 -5.44 57.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.883 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.83 -49.32 0.92 Allowed Glycine 0 N--CA 1.502 3.07 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -53.73 110.5 0.59 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.997 -1.296 . . . . 0.0 109.13 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG3' HH11 ' A' ' 22' ' ' ARG . 19.3 ttm-85 -80.32 -45.08 18.45 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.436 -0.79 . . . . 0.0 110.404 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 p -79.64 133.85 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.021 -1.05 . . . . 0.0 109.891 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.68 153.35 48.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.427 -0.796 . . . . 0.0 109.471 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -103.91 147.14 27.68 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.353 -0.842 . . . . 0.0 109.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -144.33 129.95 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.032 -1.043 . . . . 0.0 110.391 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -83.53 119.24 24.45 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -142.17 125.48 16.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.114 -0.992 . . . . 0.0 109.994 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 50.16 53.9 12.04 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.379 -1.451 . . . . 0.0 109.546 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.36 33.97 6.12 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -147.37 135.72 21.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -1.137 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -90.08 145.57 24.97 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.516 0.674 . . . . 0.0 111.107 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -144.03 145.5 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -112.43 102.54 10.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.889 -0.507 . . . . 0.0 111.097 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.55 142.09 27.84 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 78.2 p -103.52 162.84 12.71 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.73 -11.78 0.65 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.352 -1.467 . . . . 0.0 110.303 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 51.8 p -57.11 -28.23 62.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.3 p -129.96 54.84 1.82 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.352 -0.842 . . . . 0.0 109.894 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.75 -11.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.117 -0.99 . . . . 0.0 109.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 p -72.66 -46.23 54.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.67 -1.268 . . . . 0.0 109.931 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 16.6 p30 -55.59 -29.4 59.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 109.294 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -69.59 -39.85 77.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.814 -1.179 . . . . 0.0 108.675 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -62.22 -46.46 88.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -64.79 -40.97 96.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.04 -49.07 79.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 0.0 109.653 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 59.3 mt -55.84 -53.01 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.42 66.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.419 -0.801 . . . . 0.0 110.598 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 53' ' ' GLN . 41.0 mm-40 -57.45 -30.7 65.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.012 -1.055 . . . . 0.0 109.729 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.01 -31.68 64.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.948 -1.095 . . . . 0.0 109.469 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -62.4 -32.27 73.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.055 -1.028 . . . . 0.0 108.996 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.93 -33.46 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.168 -0.957 . . . . 0.0 109.611 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' NE2' ' N ' ' A' ' 53' ' ' GLN . 0.6 OUTLIER -81.25 -39.91 24.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.992 -1.067 . . . . 0.0 109.509 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 56' ' ' MET . 2.7 m -96.77 18.71 13.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.116 -0.99 . . . . 0.0 109.272 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -55.63 -10.41 3.18 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 56' ' ' MET . 2.2 mpt? -74.92 162.42 28.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.225 -1.162 . . . . 0.0 109.457 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.48 69.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.406 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.581 ' NE2' ' H ' ' A' ' 58' ' ' GLN . 3.8 mp0 -58.05 131.86 51.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.233 -0.917 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' C ' ' H ' ' A' ' 61' ' ' ARG . 69.5 ttt180 -171.1 -17.02 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.406 -0.809 . . . . 0.0 109.449 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -70.34 9.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.348 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.3 OUTLIER -161.98 -74.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.385 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.569 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.3 t -60.62 -32.99 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.875 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.575 HH11 ' CG ' ' A' ' 3' ' ' ARG . 4.0 mtt-85 -53.52 -21.04 5.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.927 . . . . 0.0 109.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -65.51 -50.21 66.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.21 -0.931 . . . . 0.0 109.387 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.65 -46.85 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 0.0 109.685 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.93 -19.24 6.25 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.15 -0.969 . . . . 0.0 109.434 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -51.7 10.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.838 -1.164 . . . . 0.0 108.802 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.25 67.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 110.156 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.43 -55.55 5.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.974 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.05 -29.73 68.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.923 -1.11 . . . . 0.0 108.152 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.02 -49.59 56.33 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.63 -19.23 2.21 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.121 -0.987 . . . . 0.0 108.603 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.49 -40.91 48.86 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -30.62 64.79 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.604 -1.239 . . . . 0.0 108.464 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.78 -33.93 52.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.153 -0.967 . . . . 0.0 109.405 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 8.1 m-20 -75.68 -13.72 60.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 110.25 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.32 -23.88 15.92 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.128 -0.982 . . . . 0.0 110.226 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -8.58 46.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.95 -1.094 . . . . 0.0 109.152 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 p -90.67 -6.72 54.17 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.06 -1.025 . . . . 0.0 110.13 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.32 -48.37 0.97 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -49.66 113.49 0.85 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.945 -1.327 . . . . 0.0 108.506 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -84.07 -41.03 17.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 110.409 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.7 p -88.02 134.58 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.029 . . . . 0.0 110.456 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.75 143.09 28.43 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -104.27 146.7 28.42 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.278 -0.889 . . . . 0.0 110.074 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.25 134.93 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.88 . . . . 0.0 109.084 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -82.65 117.09 22.35 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' GLY . 45.8 tttm -106.57 145.25 32.12 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.28 87.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.814 -1.179 . . . . 0.0 109.426 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 144.25 -49.05 0.71 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -170.86 147.38 2.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -1.22 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -79.56 144.62 33.73 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.63 147.69 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.054 -1.029 . . . . 0.0 109.233 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.18 104.19 14.07 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.766 -0.584 . . . . 0.0 110.589 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -94.37 142.2 27.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.995 -1.066 . . . . 0.0 108.195 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.0 p -99.69 164.92 11.84 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -12.02 0.27 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.37 -1.456 . . . . 0.0 110.182 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.435 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 56.9 p -59.2 -28.64 66.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.113 -0.992 . . . . 0.0 110.058 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 25.8 p -129.93 54.84 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.427 -0.795 . . . . 0.0 109.814 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.09 -11.39 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.145 -0.972 . . . . 0.0 109.926 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 p -72.49 -43.16 64.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.766 -1.209 . . . . 0.0 109.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 9.5 p30 -56.12 -32.79 64.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.085 -1.009 . . . . 0.0 109.167 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.5 tp -67.79 -36.72 80.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.845 -1.16 . . . . 0.0 108.241 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.34 -47.19 80.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.867 . . . . 0.0 109.021 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -63.55 -41.78 98.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.314 -0.866 . . . . 0.0 110.128 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.72 -51.95 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 0.0 109.476 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.24 -45.23 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.43 77.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.53 -0.731 . . . . 0.0 110.468 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.41 -33.24 69.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.128 -0.982 . . . . 0.0 109.789 -179.184 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.22 -31.32 62.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.113 . . . . 0.0 109.909 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -63.13 -32.27 73.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.1 . . . . 0.0 109.339 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.94 -31.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.422 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -80.57 -36.51 32.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.051 -1.03 . . . . 0.0 109.436 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -98.13 18.0 17.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.374 -0.829 . . . . 0.0 109.17 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 56' ' ' MET . . . -70.92 -117.38 0.04 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.6 OUTLIER 56.75 140.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.749 0.785 . . . . 0.0 110.249 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 p -89.65 -91.82 0.13 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.953 -1.092 . . . . 0.0 109.54 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -89.74 -153.97 0.3 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.251 -0.905 . . . . 0.0 109.187 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.2 OUTLIER -145.39 -176.1 4.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.016 -1.052 . . . . 0.0 109.507 -179.385 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -159.75 45.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.349 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 49.16 55.23 9.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.604 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -56.59 -43.28 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 109.47 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -54.57 -37.46 65.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.52 -43.91 96.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.913 . . . . 0.0 109.379 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.14 -48.5 57.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.329 -0.857 . . . . 0.0 109.884 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -56.96 -19.23 16.99 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.089 -1.007 . . . . 0.0 109.904 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.02 -49.98 12.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.806 -1.184 . . . . 0.0 108.898 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.31 24.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.82 6.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.03 66.54 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 7.5 tpt180 -67.48 -49.76 62.1 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.04 -18.58 2.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 0.0 108.574 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.9 -39.16 43.94 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.69 68.26 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.478 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -76.19 -32.64 59.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.127 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 9.4 m-20 -76.8 -24.42 52.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.773 . . . . 0.0 110.618 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.49 -24.83 31.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.866 -1.146 . . . . 0.0 110.578 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.79 -6.95 47.82 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.734 -1.229 . . . . 0.0 110.256 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -89.03 27.78 1.3 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.772 -1.205 . . . . 0.0 110.033 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.19 -34.66 3.22 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -70.2 110.05 4.99 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -89.75 -33.83 16.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.925 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.71 134.46 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.627 -1.296 . . . . 0.0 110.189 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -151.54 151.99 32.32 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.417 -0.802 . . . . 0.0 109.581 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -115.55 151.89 34.05 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.557 -0.714 . . . . 0.0 109.245 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.0 p -143.94 125.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.101 -1.0 . . . . 0.0 109.456 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -85.81 115.2 23.31 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 79.2 tttt -107.38 145.37 33.0 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -54.07 86.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.812 -1.18 . . . . 0.0 109.477 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 147.95 -48.71 0.62 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' HD3' ' H ' ' A' ' 32' ' ' ARG . 3.9 tpp180 -170.98 146.05 2.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.145 -1.209 . . . . 0.0 110.125 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -84.58 147.3 27.07 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.59 144.75 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.966 -1.084 . . . . 0.0 109.475 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.3 tm-20 -99.85 121.85 41.92 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.779 -0.576 . . . . 0.0 110.948 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.29 144.19 43.65 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 61.6 p -108.67 169.14 8.85 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.54 -11.75 3.3 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.668 -1.27 . . . . 0.0 109.761 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.431 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 71.6 p -63.73 -21.57 66.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.1 p -129.52 54.2 1.85 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.52 -0.737 . . . . 0.0 109.847 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -82.32 -12.37 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.058 -1.027 . . . . 0.0 110.463 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.6 p -73.67 -49.87 23.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.596 -1.315 . . . . 0.0 109.809 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.37 -32.15 62.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.23 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.58 -37.29 84.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.737 -1.227 . . . . 0.0 108.331 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -65.81 -47.18 75.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 0.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -62.42 -42.62 99.58 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.226 -0.921 . . . . 0.0 109.891 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.48 -51.91 67.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.331 -0.856 . . . . 0.0 109.167 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mt -55.95 -47.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.203 -0.935 . . . . 0.0 109.182 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.39 72.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.48 -0.763 . . . . 0.0 110.064 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.22 -27.51 68.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.113 -0.992 . . . . 0.0 109.935 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -79.78 -30.2 40.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.996 -1.065 . . . . 0.0 109.854 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -66.7 -31.93 72.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.063 -1.023 . . . . 0.0 109.627 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.92 -29.18 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.127 -0.983 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -79.34 -35.75 40.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.078 -1.013 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -81.67 30.06 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 109.609 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -99.19 33.57 6.06 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 56' ' ' MET . 4.6 mpp? -59.6 163.04 4.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -1.218 . . . . 0.0 109.211 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -148.48 -8.92 0.37 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' OE1' ' NE ' ' A' ' 60' ' ' ARG . 11.1 tt0 -155.49 -38.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 109.381 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.552 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 58.09 41.52 23.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.4 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' NE ' ' OE1' ' A' ' 58' ' ' GLN . 42.8 ttm180 -62.8 84.62 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -0.917 . . . . 0.0 109.486 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ARG . 27.6 mmt180 -132.91 112.3 11.77 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.448 -0.783 . . . . 0.0 109.208 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 CA-C-O 117.932 -1.482 . . . . 0.0 109.441 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 1' ' ' MET . 1.6 tmt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -8.35 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 108.938 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.4 -35.84 68.49 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.399 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.2 -50.69 72.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.235 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -65.32 -47.07 77.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.71 -19.03 5.39 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.205 -0.935 . . . . 0.0 109.248 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.41 -51.6 11.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.006 -1.059 . . . . 0.0 108.639 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -24.29 67.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.66 -55.44 5.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.51 -30.44 67.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.9 tpt180 -67.55 -49.2 64.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.87 -18.67 2.04 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.035 0.921 . . . . 0.0 108.758 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.02 -40.24 47.25 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -31.71 69.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.852 -1.155 . . . . 0.0 108.896 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -76.53 -30.97 57.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.02 -1.05 . . . . 0.0 109.185 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 22.4 m-20 -76.2 -12.71 60.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.413 -0.804 . . . . 0.0 110.334 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.54 -26.99 14.61 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.111 -0.993 . . . . 0.0 110.968 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 mtt -92.33 -6.16 50.79 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.876 -1.14 . . . . 0.0 109.633 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -89.1 -5.86 57.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.011 -1.056 . . . . 0.0 109.955 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.36 -48.67 0.96 Allowed Glycine 0 N--CA 1.502 3.059 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.47 120.01 6.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.973 -1.31 . . . . 0.0 108.974 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 16.5 ttm180 -89.11 -38.44 14.34 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.417 -0.802 . . . . 0.0 110.936 -178.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 p -81.6 138.13 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.054 -1.029 . . . . 0.0 110.547 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.7 151.97 35.83 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.424 -0.797 . . . . 0.0 109.271 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -122.5 152.72 40.04 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.417 -0.802 . . . . 0.0 109.791 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -146.28 126.48 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.06 115.35 22.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 33.4 ttmt -105.89 145.14 31.65 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -54.63 85.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.941 -1.099 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 146.84 -46.59 0.73 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HD2' ' H ' ' A' ' 32' ' ' ARG . 19.3 tpt180 -170.9 143.62 2.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -1.231 . . . . 0.0 110.176 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' ARG . 15.4 ptt180 -81.98 146.71 29.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -137.74 140.6 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.171 -0.955 . . . . 0.0 109.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -112.43 125.01 53.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.902 -0.499 . . . . 0.0 110.374 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -127.15 147.89 50.18 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.49 -0.756 . . . . 0.0 109.795 178.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' THR . 70.5 p -96.94 163.0 13.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.558 -1.339 . . . . 0.0 108.107 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.434 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -48.25 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.411 -1.431 . . . . 0.0 110.083 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' THR . 58.9 p -60.38 -21.85 62.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.102 -0.999 . . . . 0.0 109.69 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 m -129.1 54.54 1.8 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.534 -0.729 . . . . 0.0 109.59 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -82.7 -11.62 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.054 -1.029 . . . . 0.0 110.46 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -73.34 -48.47 34.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.646 -1.283 . . . . 0.0 109.964 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' SER . 1.3 p-10 -55.24 -32.25 62.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 109.36 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.62 -38.02 83.33 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 108.544 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -64.69 -46.38 82.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 109.252 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.238 -0.913 . . . . 0.0 110.069 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.64 -51.97 67.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.93 -44.06 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.251 -0.906 . . . . 0.0 109.175 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.56 89.14 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.951 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.71 -27.69 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 110.152 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.8 mt -77.41 -33.23 55.04 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.975 -1.078 . . . . 0.0 110.048 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.37 -31.92 73.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.849 -1.157 . . . . 0.0 108.763 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.42 -28.72 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.339 -0.851 . . . . 0.0 109.069 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -78.99 -30.74 44.51 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 121.252 -0.905 . . . . 0.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.02 24.11 0.79 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.143 -0.973 . . . . 0.0 108.869 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.65 57.27 0.05 OUTLIER Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.6 ttm -78.27 -39.94 38.52 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.17 -1.194 . . . . 0.0 109.668 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.0 p -138.98 -48.93 0.5 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.248 -0.907 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -172.24 -167.07 0.44 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.216 -0.927 . . . . 0.0 109.53 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -170.22 175.66 4.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.258 -0.901 . . . . 0.0 109.61 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -168.87 -49.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -60.36 119.05 7.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 109.356 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.59 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mmm . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.304 0.574 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.4 t -147.43 -43.81 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.255 -0.903 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.62 -36.36 24.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.256 -0.903 . . . . 0.0 109.266 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -33.52 34.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.569 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.81 -49.24 21.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.876 . . . . 0.0 110.108 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.04 -19.6 32.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.018 -1.051 . . . . 0.0 109.693 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.67 -48.89 15.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.942 -1.098 . . . . 0.0 108.917 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.52 -25.31 24.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.807 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.87 -56.26 4.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 109.937 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.12 65.5 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.57 -49.33 66.76 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.67 -19.09 2.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.259 -0.901 . . . . 0.0 108.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.95 -38.79 44.48 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.03 69.14 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 118.764 -1.175 . . . . 0.0 108.785 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -76.94 -32.45 57.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.026 -1.047 . . . . 0.0 109.225 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 47.1 m-20 -76.25 -16.48 59.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 0.0 110.422 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -94.84 -23.62 17.4 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.005 -1.059 . . . . 0.0 110.317 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -8.14 48.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.03 -1.044 . . . . 0.0 109.562 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.83 -5.13 57.18 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.967 -1.083 . . . . 0.0 110.011 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.21 -49.27 0.9 Allowed Glycine 0 N--CA 1.502 3.092 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -52.27 115.51 1.77 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 20.8 ttm180 -86.49 -39.62 16.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.339 -0.85 . . . . 0.0 110.954 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -79.42 134.04 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.919 -1.113 . . . . 0.0 110.577 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -148.85 152.56 36.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.454 -0.779 . . . . 0.0 109.31 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -117.79 152.66 34.86 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.576 -0.703 . . . . 0.0 109.538 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.2 p -145.46 125.66 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.191 -0.943 . . . . 0.0 109.458 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -84.68 115.74 22.83 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 46.1 tttm -107.06 145.37 32.46 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.49 85.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.882 -1.136 . . . . 0.0 109.367 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 147.8 -48.42 0.64 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -170.84 146.03 2.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.211 -1.17 . . . . 0.0 110.212 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -83.89 146.93 27.8 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -140.98 145.33 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.034 -1.041 . . . . 0.0 109.406 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.5 tm-20 -99.67 124.69 45.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.869 -0.519 . . . . 0.0 110.856 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.58 144.58 45.01 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.582 ' HG1' ' HG1' ' A' ' 38' ' ' THR . 70.4 p -109.59 161.96 14.87 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.61 -11.75 0.62 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.194 -1.566 . . . . 0.0 110.299 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.582 ' HG1' ' HG1' ' A' ' 36' ' ' THR . 82.4 p -62.08 -24.49 67.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.973 . . . . 0.0 109.784 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.46 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 97.9 p -129.1 54.74 1.78 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.468 -0.77 . . . . 0.0 109.814 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.72 -10.89 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 p -72.42 -47.62 47.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.661 -1.275 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 21.4 p-10 -55.39 -34.87 64.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.8 tp -65.27 -36.06 82.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.68 -1.262 . . . . 0.0 108.536 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.51 -44.08 83.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 109.223 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -66.89 -40.61 87.8 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.131 -0.981 . . . . 0.0 109.913 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.52 -52.07 67.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 109.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -53.52 -46.65 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.088 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -41.88 71.38 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -58.6 -29.33 66.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.164 -0.96 . . . . 0.0 110.236 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -79.81 -30.75 40.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.904 -1.123 . . . . 0.0 109.979 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.04 -31.26 72.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.99 -30.53 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.102 -0.999 . . . . 0.0 109.509 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -80.52 -37.44 31.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.978 -1.076 . . . . 0.0 109.655 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -92.15 16.86 10.49 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 109.321 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.59 121.84 1.08 Allowed Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.1 ttm -161.47 116.68 2.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.167 -1.196 . . . . 0.0 109.419 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.9 m -164.42 -26.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.418 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -80.5 -177.01 6.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.269 -0.894 . . . . 0.0 109.41 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -170.08 9.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.306 -0.872 . . . . 0.0 109.647 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.529 ' C ' ' H ' ' A' ' 62' ' ' GLY . 23.6 mmt180 -66.01 -162.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.951 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 68.74 -36.39 0.32 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.544 -0.723 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.002 -1.444 . . . . 0.0 109.535 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.7 t -51.74 -51.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.24 -0.912 . . . . 0.0 109.246 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -50.31 -34.99 25.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.17 -0.957 . . . . 0.0 109.076 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -58.08 -41.65 83.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.351 -0.843 . . . . 0.0 108.975 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.59 -48.62 25.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.95 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.76 -19.81 43.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 109.666 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.67 -46.45 21.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.881 -1.137 . . . . 0.0 108.937 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.64 66.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.508 -0.745 . . . . 0.0 110.038 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.29 4.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 110.105 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.85 -29.16 66.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.35 -49.74 52.74 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.38 -19.19 3.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.078 -1.014 . . . . 0.0 109.143 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.24 -37.63 32.65 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -27.33 68.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.896 -1.127 . . . . 0.0 109.042 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -76.82 -31.83 57.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.171 -0.955 . . . . 0.0 108.614 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -75.48 -34.54 60.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.549 -0.719 . . . . 0.0 110.172 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -75.17 -23.83 57.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.169 -0.957 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -10.36 49.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.845 -1.16 . . . . 0.0 109.399 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.55 -5.92 50.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.98 -1.075 . . . . 0.0 109.78 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.33 -42.7 1.47 Allowed Glycine 0 N--CA 1.502 3.05 0 N-CA-C 110.349 -1.101 . . . . 0.0 110.349 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 3.7 mptp? -49.67 103.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.998 -1.295 . . . . 0.0 109.053 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -76.32 -46.27 28.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 ' CG2' ' CD ' ' A' ' 34' ' ' GLU . 7.3 p -82.99 133.4 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.186 -0.946 . . . . 0.0 110.266 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.56 33.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.344 -0.848 . . . . 0.0 109.031 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.2 m -111.23 154.39 24.5 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.433 -0.792 . . . . 0.0 110.065 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.1 p -145.57 125.48 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.224 -0.922 . . . . 0.0 109.364 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -86.0 116.38 24.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.508 -0.745 . . . . 0.0 109.013 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' GLY . 51.2 tttm -108.01 145.13 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -55.01 85.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.821 -1.174 . . . . 0.0 109.405 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 148.21 -47.72 0.65 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HD3' ' H ' ' A' ' 32' ' ' ARG . 4.3 tpp180 -171.02 145.69 2.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.19 -1.182 . . . . 0.0 110.078 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' H ' ' HD3' ' A' ' 31' ' ' ARG . 8.2 ptp180 -83.96 146.34 28.06 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.71 145.33 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 120.972 -1.08 . . . . 0.0 109.116 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' CG2' ' A' ' 23' ' ' VAL . 13.6 tt0 -103.57 122.47 45.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.753 -0.592 . . . . 0.0 110.959 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -113.9 144.23 43.39 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.443 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 64.8 p -105.11 164.19 12.0 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.53 -11.54 0.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.307 -1.496 . . . . 0.0 110.06 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 78.6 p -63.99 -22.19 66.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.046 . . . . 0.0 110.072 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 53.1 p -128.82 53.79 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.361 -0.837 . . . . 0.0 110.14 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -82.42 -11.7 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.092 -1.005 . . . . 0.0 110.252 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.549 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 65.1 p -73.57 -50.08 23.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.666 -1.271 . . . . 0.0 109.968 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' H ' ' HG ' ' A' ' 41' ' ' SER . 1.2 p-10 -55.05 -31.3 61.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.308 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.05 -35.14 76.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.746 -1.221 . . . . 0.0 108.349 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -66.27 -47.28 74.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 108.865 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.229 -0.919 . . . . 0.0 109.802 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.42 -52.1 67.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.21 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.5 mt -54.5 -51.71 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 109.025 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.43 61.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.601 -0.687 . . . . 0.0 110.328 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.54 -27.1 68.74 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.176 -0.953 . . . . 0.0 110.029 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -83.64 -32.64 25.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.98 -1.075 . . . . 0.0 109.983 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -65.2 -30.86 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.927 -1.108 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.0 t -83.58 -29.51 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.973 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -79.1 -35.75 41.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 0.0 109.64 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -88.85 30.52 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.14 -0.975 . . . . 0.0 109.506 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.72 86.41 0.07 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.523 ' C ' ' H ' ' A' ' 58' ' ' GLN . 55.4 mtt -95.68 132.58 40.72 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.319 -1.107 . . . . 0.0 109.456 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 m 58.73 1.91 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.305 -0.872 . . . . 0.0 109.585 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 56' ' ' MET . 26.4 tt0 -65.13 117.96 8.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.957 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -45.75 41.2 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.176 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.84 -149.99 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.4 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.1 OUTLIER -141.63 49.06 1.61 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.286 -0.884 . . . . 0.0 109.093 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.653 -179.813 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.8 t -147.93 -38.35 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.201 -0.937 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -57.6 -30.04 64.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.1 -38.04 89.63 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.402 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.8 -48.82 28.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.317 -0.864 . . . . 0.0 109.782 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.47 -19.5 15.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.121 -0.987 . . . . 0.0 109.559 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.92 -49.46 14.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.996 -1.065 . . . . 0.0 109.034 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.34 37.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.15 5.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.169 -0.957 . . . . 0.0 109.622 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.2 69.58 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.21 -50.6 45.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.46 -18.22 2.55 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.131 -0.981 . . . . 0.0 108.739 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -79.74 -36.88 36.66 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.575 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -32.83 73.37 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.797 -1.189 . . . . 0.0 109.051 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -76.24 -34.17 59.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 109.491 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 1.7 m-20 -76.53 -14.81 59.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.71 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -93.69 -24.94 17.67 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.826 -1.171 . . . . 0.0 110.542 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mtt -91.11 -6.53 53.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.73 -1.231 . . . . 0.0 109.749 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -89.37 -5.32 57.57 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.921 -1.112 . . . . 0.0 109.749 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.06 -49.7 0.91 Allowed Glycine 0 N--CA 1.503 3.139 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -53.39 108.85 0.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.288 . . . . 0.0 108.977 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -78.48 -46.09 20.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.445 -0.784 . . . . 0.0 110.479 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.93 133.68 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.017 -1.052 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.15 153.32 43.98 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -103.52 149.14 25.14 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.29 -0.881 . . . . 0.0 109.469 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.61 123.87 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.139 -0.976 . . . . 0.0 109.401 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -86.92 116.02 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 30' ' ' GLY . 82.7 tttt -110.83 145.11 38.78 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.57 84.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.881 -1.137 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 150.51 -46.66 0.62 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.569 ' NH1' ' CZ ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -171.25 147.99 2.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.043 -1.269 . . . . 0.0 109.649 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' CZ ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 146.72 31.85 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -142.22 146.38 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 120.956 -1.09 . . . . 0.0 109.452 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -110.55 104.79 13.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.891 -0.506 . . . . 0.0 111.049 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -94.02 141.65 28.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.978 -1.076 . . . . 0.0 108.119 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 73.4 p -99.55 162.96 12.71 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.39 -12.12 0.63 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.205 -1.559 . . . . 0.0 110.376 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.428 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 60.2 p -57.75 -26.62 62.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.128 -0.982 . . . . 0.0 109.933 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 31.1 p -129.61 54.13 1.86 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.392 -0.817 . . . . 0.0 109.943 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.06 -11.41 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.041 -1.037 . . . . 0.0 110.1 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -72.91 -46.29 53.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.693 -1.254 . . . . 0.0 109.836 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.16 -35.21 64.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.099 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 13.8 tp -64.62 -38.7 91.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.907 -1.121 . . . . 0.0 108.818 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -64.41 -43.8 93.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.147 -0.971 . . . . 0.0 109.107 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.506 ' CB ' ' HZ2' ' A' ' 45' ' ' LYS . 7.6 ttpm? -64.94 -42.29 94.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.241 -0.912 . . . . 0.0 109.661 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.17 -51.82 67.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 0.0 109.21 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.09 -51.56 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.192 -0.942 . . . . 0.0 109.279 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.08 62.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.562 -0.711 . . . . 0.0 110.152 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -28.73 65.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.111 -0.993 . . . . 0.0 110.025 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.6 mt -80.53 -31.39 37.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.976 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.89 -30.27 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.964 -1.085 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.38 -29.36 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 0.0 109.159 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -70.43 -31.23 68.33 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.505 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 17.73 3.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 108.964 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.14 83.57 0.09 OUTLIER Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 56' ' ' MET . 2.0 mpt? -64.95 90.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -1.155 . . . . 0.0 109.516 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 p -83.26 29.88 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.376 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 59' ' ' ARG . 51.3 tt0 -165.51 112.97 0.96 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.949 . . . . 0.0 109.583 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 58' ' ' GLN . 46.7 ttt180 61.44 136.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.0 109.647 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -165.5 146.33 7.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.203 -0.936 . . . . 0.0 109.403 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.29 -119.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.448 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 t -146.79 -17.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' NH2' ' CD2' ' A' ' 50' ' ' LEU . 50.5 mtp180 -60.51 -19.46 57.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -56.31 -45.61 80.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.879 . . . . 0.0 109.487 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.28 -44.25 72.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.521 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.07 -19.39 43.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.092 -1.005 . . . . 0.0 109.673 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.14 -49.65 13.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.853 -1.154 . . . . 0.0 109.013 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.61 50.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.86 . . . . 0.0 109.773 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.81 -55.49 5.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.74 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.48 66.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.6 tpt180 -68.99 -49.92 53.54 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -18.57 2.05 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.067 0.937 . . . . 0.0 108.633 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -77.5 -42.15 36.76 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -28.0 61.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.668 -1.213 . . . . 0.0 108.378 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.238 -0.914 . . . . 0.0 109.292 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.25 -30.32 57.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 110.401 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.33 -23.69 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 110.087 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -12.67 30.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.955 -1.091 . . . . 0.0 109.716 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.69 -5.34 55.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.881 -1.137 . . . . 0.0 110.168 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.34 -50.2 0.89 Allowed Glycine 0 N--CA 1.502 3.091 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -51.84 102.03 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.943 -1.328 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -77.84 -42.41 33.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 110.827 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.39 133.87 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.886 -1.134 . . . . 0.0 110.043 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.41 37.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.362 -0.836 . . . . 0.0 109.081 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 m -105.43 139.28 40.29 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.419 -0.801 . . . . 0.0 109.969 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.2 131.23 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.971 . . . . 0.0 109.056 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 10.5 pt20 -82.47 118.37 23.18 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' A' ' 30' ' ' GLY . 49.4 tttm -107.82 145.58 33.42 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -47.5 90.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.856 -1.152 . . . . 0.0 109.558 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 144.96 -54.51 0.56 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.33 151.87 2.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.816 -1.403 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.55 142.34 51.79 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -144.77 148.29 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -106.85 103.06 12.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.834 -0.541 . . . . 0.0 110.613 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.95 141.79 28.12 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.8 p -100.87 171.52 7.61 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.21 -11.7 0.8 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.739 -1.225 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 70.2 p -63.66 -25.84 68.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.258 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.1 p -127.95 53.81 1.76 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.921 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -79.82 -11.25 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 110.122 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.0 p -72.48 -46.7 53.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.75 -1.219 . . . . 0.0 109.841 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.79 -36.65 67.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.173 -0.954 . . . . 0.0 109.342 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.0 tp -63.44 -36.79 84.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.886 -1.134 . . . . 0.0 108.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -66.31 -44.65 82.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.213 -0.929 . . . . 0.0 109.022 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.83 -42.72 97.57 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.114 -0.991 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -58.64 -51.35 70.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 59.3 mt -55.0 -53.59 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 109.823 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.75 63.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 110.733 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.37 -29.58 66.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.078 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD2' ' NH2' ' A' ' 3' ' ' ARG . 49.6 mt -74.69 -30.25 61.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.892 -1.13 . . . . 0.0 109.836 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -69.42 -32.42 71.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.55 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.95 -28.5 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 109.645 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -78.63 -35.09 45.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.967 . . . . 0.0 109.857 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -81.34 13.65 2.83 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.18 -0.95 . . . . 0.0 109.227 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' A' ' 56' ' ' MET . . . 60.11 119.79 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tpp -150.64 119.38 6.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.129 -1.218 . . . . 0.0 109.007 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.1 p -97.06 -129.59 0.17 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 109.202 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -171.13 -15.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.179 -0.951 . . . . 0.0 109.455 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.553 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 55.87 54.65 7.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.531 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -72.53 151.05 42.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 0.0 109.4 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.666 ' NE ' ' H ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -92.42 -50.11 5.8 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.295 -0.878 . . . . 0.0 109.121 179.745 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.021 -1.433 . . . . 0.0 109.582 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 t -59.23 -17.18 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.229 -0.92 . . . . 0.0 109.474 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.59 -32.69 74.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.896 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -58.8 -50.68 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 109.254 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -68.02 -46.05 72.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.352 -0.843 . . . . 0.0 109.609 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.08 -18.97 16.65 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.252 -0.905 . . . . 0.0 109.593 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.75 -50.4 12.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 108.799 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.31 57.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 -55.01 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.14 -29.83 63.93 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.7 tpt180 -69.8 -50.42 43.23 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -18.13 2.86 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.182 -0.949 . . . . 0.0 108.821 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -78.88 -37.69 39.55 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -31.93 72.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.832 -1.168 . . . . 0.0 108.962 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -76.08 -32.1 59.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.026 -1.046 . . . . 0.0 109.378 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.25 -32.42 58.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.33 -0.856 . . . . 0.0 110.223 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.54 -25.6 57.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.965 -1.084 . . . . 0.0 110.915 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.1 mtt -91.08 -8.58 48.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.598 -1.314 . . . . 0.0 109.575 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.29 -6.06 51.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.045 -1.035 . . . . 0.0 109.702 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 129.96 -47.74 1.0 Allowed Glycine 0 N--CA 1.502 3.068 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 11.7 mptt -48.98 97.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.945 -1.327 . . . . 0.0 109.172 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' GLY . 30.1 ttm180 -69.76 -49.13 56.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.086 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.98 133.63 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.032 -1.042 . . . . 0.0 109.856 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.37 148.86 41.93 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -103.47 142.44 34.25 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.295 -0.878 . . . . 0.0 109.857 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.6 143.17 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.538 ' CD ' ' H ' ' A' ' 27' ' ' GLN . 2.5 mp0 -84.34 98.88 10.27 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -98.21 112.01 24.14 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.321 -0.862 . . . . 0.0 108.722 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.52 26.1 13.9 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.413 -1.429 . . . . 0.0 109.111 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.3 -17.0 50.61 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -88.11 138.99 30.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.102 -1.234 . . . . 0.0 109.269 -179.754 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 97.0 mtt180 -89.87 131.44 35.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.587 -0.695 . . . . 0.0 109.778 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.39 146.92 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.176 -0.952 . . . . 0.0 108.911 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 18.3 mp0 -110.53 102.51 11.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.864 -0.523 . . . . 0.0 111.06 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.23 142.69 27.03 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' THR . 73.8 p -99.25 163.57 12.49 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.72 -11.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.429 -1.419 . . . . 0.0 110.211 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.2 p -65.58 -27.04 68.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.095 -1.003 . . . . 0.0 109.91 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 92.9 p -121.31 51.64 1.27 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.463 -0.773 . . . . 0.0 109.697 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -83.44 -11.77 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.186 -0.946 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -73.16 -49.14 29.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.615 -1.303 . . . . 0.0 109.755 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.3 p-10 -55.33 -32.54 62.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.51 -36.36 82.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.705 -1.247 . . . . 0.0 108.497 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -66.46 -44.6 82.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.314 -0.866 . . . . 0.0 109.247 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -41.98 94.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.12 -0.988 . . . . 0.0 109.67 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.97 -52.0 67.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.862 . . . . 0.0 108.956 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.1 mt -55.91 -45.01 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.34 -0.85 . . . . 0.0 109.161 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.55 69.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 0.0 110.285 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.71 -25.92 65.01 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.18 -0.95 . . . . 0.0 109.986 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -84.01 -31.44 25.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.009 -1.057 . . . . 0.0 110.248 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.89 -31.69 71.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.902 -1.124 . . . . 0.0 109.459 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.96 -29.48 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -79.9 -36.7 36.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 109.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -83.36 14.69 3.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 0.0 109.498 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.99 -26.39 53.31 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.7 ttp -76.81 109.99 11.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.424 -1.045 . . . . 0.0 109.21 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.0 p -151.57 -171.31 3.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.219 -0.926 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -98.98 -142.67 0.32 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -170.4 141.7 2.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.075 -1.016 . . . . 0.0 109.484 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -63.07 124.54 21.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.453 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.1 OUTLIER -66.8 -169.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.424 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.014 -1.437 . . . . 0.0 109.593 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.302 0.572 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.72 -34.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.482 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -54.71 -20.84 9.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.314 -0.866 . . . . 0.0 109.441 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.76 -42.15 86.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.281 -0.887 . . . . 0.0 109.438 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -72.61 -37.1 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.34 -0.85 . . . . 0.0 109.923 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -67.6 -20.36 65.36 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.164 -0.96 . . . . 0.0 109.411 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.75 -49.99 13.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.892 -1.13 . . . . 0.0 108.993 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.38 -24.3 54.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 0.0 109.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.78 -55.24 5.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 109.576 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -28.86 65.6 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.41 -50.2 34.26 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.81 2.17 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.159 0.98 . . . . 0.0 108.492 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.22 -41.94 47.62 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -30.58 64.44 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.557 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -76.99 -32.53 57.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.034 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.39 -25.84 54.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.494 -0.753 . . . . 0.0 110.459 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.2 mt -84.7 -23.36 29.39 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.052 -1.03 . . . . 0.0 110.409 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -8.12 49.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.014 -1.054 . . . . 0.0 109.873 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -90.34 -4.87 56.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.897 -1.127 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.82 -50.16 0.87 Allowed Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.49 110.18 0.48 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.975 -1.309 . . . . 0.0 108.491 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 12.2 ptp180 -83.2 -41.59 18.24 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.332 -0.855 . . . . 0.0 110.932 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 22' ' ' ARG . 14.5 p -79.44 134.23 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.973 -1.08 . . . . 0.0 110.112 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.93 43.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.525 -0.735 . . . . 0.0 109.247 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -104.05 151.5 23.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.342 -0.849 . . . . 0.0 109.599 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.65 131.05 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.042 -1.036 . . . . 0.0 110.207 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -83.83 118.79 24.18 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HZ3' ' HH ' ' A' ' 46' ' ' TYR . 59.7 tttp -137.07 121.97 18.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.8 OUTLIER 49.23 52.68 13.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.264 -1.522 . . . . 0.0 109.393 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.88 39.95 26.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -149.48 133.76 17.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.179 -1.189 . . . . 0.0 109.229 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -90.4 145.03 25.26 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.588 0.709 . . . . 0.0 111.217 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.59 145.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -112.2 102.31 10.5 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.821 -0.55 . . . . 0.0 111.029 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.7 145.34 25.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.92 -1.112 . . . . 0.0 108.155 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.485 ' HG1' ' H ' ' A' ' 38' ' ' THR . 47.5 p -108.89 172.22 6.97 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -11.88 18.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.711 -1.243 . . . . 0.0 109.811 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.485 ' H ' ' HG1' ' A' ' 36' ' ' THR . 45.9 p -57.55 -25.27 59.68 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.195 -0.941 . . . . 0.0 110.21 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 3.9 t -133.46 55.61 1.89 Allowed 'General case' 0 N--CA 1.514 2.76 0 O-C-N 121.269 -0.894 . . . . 0.0 110.123 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.01 -11.31 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.981 -1.074 . . . . 0.0 109.651 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -72.58 -45.81 57.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.837 -1.164 . . . . 0.0 109.898 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.73 -36.07 66.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.0 109.311 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.1 tp -64.84 -35.2 80.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.835 -1.166 . . . . 0.0 108.68 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -66.66 -41.49 88.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.301 -0.874 . . . . 0.0 109.554 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -39.29 74.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.014 -1.054 . . . . 0.0 109.898 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.433 ' HH ' ' HZ3' ' A' ' 28' ' ' LYS . 50.9 t80 -61.74 -45.12 95.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.198 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 66.1 mt -57.19 -53.88 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.17 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.88 61.9 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.448 -0.783 . . . . 0.0 110.143 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.92 -29.17 66.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 109.901 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.99 -31.29 61.39 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.978 -1.076 . . . . 0.0 109.677 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -66.39 -29.77 70.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.061 -1.024 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -84.51 -28.85 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 109.249 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.81 -32.89 46.49 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.312 -0.867 . . . . 0.0 109.74 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -88.99 22.87 2.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.17 23.03 0.27 Allowed Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.4 tpp -62.9 91.63 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -1.17 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -153.24 -89.9 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.243 -0.911 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -152.81 -175.38 5.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 109.378 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.01 -163.78 0.38 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.29 -0.881 . . . . 0.0 109.691 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.574 HH11 ' CG ' ' A' ' 60' ' ' ARG . 3.8 mtt-85 -63.5 159.72 17.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.893 . . . . 0.0 109.469 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 52.65 70.38 0.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.288 -0.883 . . . . 0.0 109.498 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 t -69.9 -23.72 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.893 . . . . 0.0 109.559 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.91 -29.03 69.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 109.488 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -69.15 -51.05 42.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.279 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -71.19 -39.6 71.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.618 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.96 -19.19 65.85 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.222 -0.924 . . . . 0.0 109.265 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.33 -48.95 18.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.876 -1.14 . . . . 0.0 108.961 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.16 -23.84 66.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.77 . . . . 0.0 109.627 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.65 5.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 0.0 110.033 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.14 -29.33 67.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.4 tpt180 -68.43 -50.02 55.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.01 -18.45 2.02 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.195 -0.941 . . . . 0.0 108.539 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -76.83 -41.4 44.36 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.08 64.75 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.495 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -77.08 -32.28 56.6 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.069 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.35 -27.87 56.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.54 -0.725 . . . . 0.0 110.419 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.0 -23.45 33.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.045 -1.034 . . . . 0.0 110.423 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -8.16 46.99 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.954 -1.091 . . . . 0.0 110.09 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.01 -4.9 57.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.753 -1.217 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.19 -50.0 0.88 Allowed Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -53.78 116.76 2.69 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.246 . . . . 0.0 108.181 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.545 HH11 ' CG ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -89.84 -35.06 15.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.126 -0.984 . . . . 0.0 111.311 -178.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 p -83.9 134.23 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.664 -1.272 . . . . 0.0 110.02 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.33 152.51 44.48 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.43 -0.794 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -106.52 144.1 33.69 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.373 -0.829 . . . . 0.0 109.7 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.06 133.56 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.954 -1.091 . . . . 0.0 109.568 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -82.93 118.83 23.74 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 46' ' ' TYR . 50.7 tttp -136.24 126.16 25.9 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.273 -0.892 . . . . 0.0 109.821 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.3 t70 50.39 54.7 10.68 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.331 -1.48 . . . . 0.0 109.547 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.27 32.43 5.13 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -147.93 133.06 18.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.187 -1.184 . . . . 0.0 109.249 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -87.05 145.1 26.6 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.9 t -144.55 148.05 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -116.61 102.6 9.6 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.809 -0.557 . . . . 0.0 111.151 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -94.27 141.66 28.3 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 58.4 p -100.87 171.6 7.56 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.14 -11.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.78 -1.2 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 76.8 p -65.03 -24.08 67.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 109.901 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 60.4 p -125.6 53.3 1.57 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.407 -0.808 . . . . 0.0 109.679 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -83.37 -12.69 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -0.961 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -73.3 -49.81 25.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.563 -1.336 . . . . 0.0 109.698 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.4 p-10 -55.44 -31.61 62.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.7 tp -65.58 -37.55 86.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.71 -1.244 . . . . 0.0 108.224 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -65.06 -46.36 81.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.923 . . . . 0.0 109.365 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -64.15 -41.95 96.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.901 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 28' ' ' LYS . 52.8 t80 -57.94 -52.04 67.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.7 -48.31 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 0.0 109.347 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.43 -44.41 68.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.521 -0.737 . . . . 0.0 110.504 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.17 -29.44 65.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.141 -0.975 . . . . 0.0 110.328 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.58 -32.02 41.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.789 -1.195 . . . . 0.0 109.804 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.19 -30.24 71.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.077 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.3 t -78.84 -29.72 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 0.0 109.304 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.85 -36.97 70.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.123 -0.985 . . . . 0.0 109.399 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 56' ' ' MET . 7.2 p -105.2 21.53 16.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.384 -0.823 . . . . 0.0 109.144 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 56' ' ' MET . . . 62.92 -75.86 0.03 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 54' ' ' THR . 4.9 tpp 58.94 158.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -1.103 . . . . 0.0 109.332 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 56' ' ' MET . 69.3 p 47.83 65.14 1.37 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.865 . . . . 0.0 109.635 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -169.76 131.75 1.11 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.441 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -171.11 151.89 3.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.38 -0.825 . . . . 0.0 109.447 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -169.8 53.42 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.368 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.5 mtt-85 50.48 71.1 0.44 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.216 -0.928 . . . . 0.0 109.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.561 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.65 -50.11 13.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.947 -1.096 . . . . 0.0 108.976 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.59 46.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.01 5.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 109.585 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.31 -30.02 68.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.48 -50.14 48.17 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.17 -18.76 2.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.189 -0.944 . . . . 0.0 108.482 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.16 -40.79 51.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.38 67.97 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.646 -1.222 . . . . 0.0 108.632 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -77.18 -33.13 56.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.094 -1.004 . . . . 0.0 109.362 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 12.3 m-20 -76.19 -17.59 59.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.454 -0.779 . . . . 0.0 110.453 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -93.23 -23.48 18.52 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.928 -1.108 . . . . 0.0 110.385 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -7.84 51.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.388 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.36 -5.5 56.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.879 -1.138 . . . . 0.0 110.095 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.03 -48.85 0.93 Allowed Glycine 0 N--CA 1.503 3.157 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.45 112.75 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.937 -1.331 . . . . 0.0 108.765 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 15.3 ttm180 -82.35 -42.62 18.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.487 -0.758 . . . . 0.0 110.664 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 134.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.05 -1.031 . . . . 0.0 110.263 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.61 152.71 47.03 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.453 -0.779 . . . . 0.0 109.273 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 m -104.84 149.53 25.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.333 -0.854 . . . . 0.0 109.606 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.1 p . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.067 -1.021 . . . . 0.0 110.161 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.502 2.164 0 CA-C-O 120.868 0.366 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -95.13 144.51 25.7 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.972 -1.08 . . . . 0.0 108.188 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 38' ' ' THR . 60.9 p -107.94 162.03 14.39 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.21 -11.89 0.21 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.401 -1.437 . . . . 0.0 110.357 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 36' ' ' THR . 69.7 p -60.4 -26.18 66.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.077 -1.014 . . . . 0.0 109.996 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 47.7 p -128.31 53.92 1.78 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.365 -0.834 . . . . 0.0 109.838 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.2 p -79.2 -11.24 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.166 -0.959 . . . . 0.0 110.158 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.3 p -72.36 -46.99 52.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.689 -1.257 . . . . 0.0 109.728 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.69 -36.8 67.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.342 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tp -63.29 -35.93 81.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.811 -1.181 . . . . 0.0 108.75 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -67.0 -40.99 87.44 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.566 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -71.17 -39.26 71.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.059 -1.026 . . . . 0.0 109.842 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -60.01 -51.14 70.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 109.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -52.58 -52.13 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.096 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.39 62.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 110.012 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.5 -26.39 63.4 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 110.072 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.994 -1.066 . . . . 0.0 110.129 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 4.2 mp0 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.42 -50.44 14.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.844 -1.16 . . . . 0.0 108.973 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.35 67.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.373 -0.83 . . . . 0.0 109.567 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.55 -55.06 5.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.63 -28.95 64.15 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.92 -50.11 45.42 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.38 -18.64 2.71 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.102 -0.999 . . . . 0.0 108.514 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.61 -40.06 50.57 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -32.5 70.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.813 -1.179 . . . . 0.0 108.777 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -77.02 -33.52 57.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.405 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 16.7 m-20 -76.16 -13.71 60.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 110.525 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.86 -26.33 16.23 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.974 -1.079 . . . . 0.0 110.618 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 mtt -92.25 -6.26 50.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.721 -1.237 . . . . 0.0 109.749 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -5.84 56.96 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.944 -1.097 . . . . 0.0 109.996 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.23 -50.16 0.9 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -55.36 115.76 2.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.952 -1.323 . . . . 0.0 108.813 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 35.3 ttp180 -83.11 -41.68 18.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.356 -0.84 . . . . 0.0 110.614 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.31 134.17 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.956 -1.09 . . . . 0.0 109.942 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.66 151.84 51.84 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -105.11 141.52 36.51 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.343 -0.848 . . . . 0.0 109.799 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.072 -1.018 . . . . 0.0 109.77 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.84 143.48 26.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.874 -1.141 . . . . 0.0 108.348 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -102.89 162.24 13.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.33 -11.55 0.53 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.348 -1.47 . . . . 0.0 110.518 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.7 p -57.18 -28.59 62.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.033 -1.042 . . . . 0.0 110.16 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.8 p -130.15 54.93 1.83 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.323 -0.861 . . . . 0.0 109.852 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.7 p -76.77 -11.57 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.053 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -72.34 -44.18 63.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.719 -1.238 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 12.6 p30 -55.74 -30.58 61.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 0.0 109.192 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.02 -36.06 74.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.799 -1.188 . . . . 0.0 108.235 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -64.43 -47.66 78.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.287 -0.883 . . . . 0.0 109.146 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.83 -42.37 99.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 110.051 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.0 -51.43 70.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.165 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.86 -50.2 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.272 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.0 63.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.475 -0.765 . . . . 0.0 110.437 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.83 -28.52 66.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.153 -0.967 . . . . 0.0 110.739 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 N--CA 1.497 1.916 0 O-C-N 120.859 -1.15 . . . . 0.0 110.538 -179.376 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.2 tt -77.48 -50.05 13.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.953 -1.092 . . . . 0.0 108.857 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.21 61.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.465 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.77 -54.95 5.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.563 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.03 -30.41 68.0 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.3 tpt180 -68.79 -50.09 53.17 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.22 3.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.154 -0.966 . . . . 0.0 108.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.4 -36.83 38.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -29.37 70.44 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.816 -1.154 . . . . 0.0 108.944 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.9 -32.06 57.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.076 -1.015 . . . . 0.0 109.036 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.77 -34.8 60.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.127 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.26 -23.53 57.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.656 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -8.81 50.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.875 -1.141 . . . . 0.0 109.465 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -94.37 -6.16 44.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.04 -1.038 . . . . 0.0 109.925 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.25 -46.3 1.09 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 12.0 mptt -47.94 99.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.085 -1.244 . . . . 0.0 109.141 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 HH11 ' HG3' ' A' ' 22' ' ' ARG . 15.5 ttm-85 -72.41 -49.12 36.02 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.362 -0.836 . . . . 0.0 110.092 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.84 134.33 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 110.101 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.0 44.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.358 -0.839 . . . . 0.0 108.984 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 m -104.22 154.35 19.87 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.32 -0.863 . . . . 0.0 109.846 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 109.868 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -95.42 145.96 24.76 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.866 -1.146 . . . . 0.0 108.673 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -110.48 162.01 15.11 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -53.69 -11.89 0.44 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.241 -1.537 . . . . 0.0 110.307 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -61.03 -25.75 67.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.022 -1.048 . . . . 0.0 110.13 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 36.6 p -129.57 54.47 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.325 -0.859 . . . . 0.0 110.025 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.0 p -79.87 -11.84 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.089 -1.007 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.8 p -73.45 -46.12 50.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.577 -1.327 . . . . 0.0 110.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 17.5 p30 -55.17 -29.24 57.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.095 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.59 -37.3 73.88 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.802 -1.187 . . . . 0.0 108.271 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -63.03 -48.57 78.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.219 -0.926 . . . . 0.0 109.012 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -61.24 -42.89 99.4 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 110.092 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.17 -52.17 66.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -53.81 -51.45 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.097 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -41.62 63.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.548 -0.72 . . . . 0.0 110.082 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -58.63 -27.56 64.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.141 -0.975 . . . . 0.0 110.204 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.494 1.769 0 O-C-N 120.982 -1.074 . . . . 0.0 110.218 -179.584 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.5 tt -77.54 -50.3 12.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 109.013 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -27.01 63.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.28 -54.81 6.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -56.07 -28.98 59.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.518 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.95 -49.9 40.43 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.04 -18.63 2.17 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.088 -1.007 . . . . 0.0 108.548 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.33 -42.94 43.3 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -31.29 63.88 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.705 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -76.45 -33.7 58.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.05 . . . . 0.0 109.425 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -76.84 -24.94 52.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 110.491 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.87 -26.36 34.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.959 -1.088 . . . . 0.0 110.596 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.2 mtt -92.54 -8.17 45.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.706 -1.246 . . . . 0.0 109.635 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -92.7 -6.04 50.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.999 -1.063 . . . . 0.0 109.967 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.42 -50.86 0.87 Allowed Glycine 0 N--CA 1.504 3.169 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -50.8 93.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.95 -1.323 . . . . 0.0 108.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLY . 63.7 mtm180 -68.05 -50.99 51.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.594 -0.691 . . . . 0.0 109.792 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -77.95 133.87 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.045 -1.034 . . . . 0.0 109.57 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.57 152.47 50.51 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -103.64 144.6 31.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.298 -0.876 . . . . 0.0 109.847 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.0 p . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.122 -0.986 . . . . 0.0 110.034 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.45 143.71 26.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.807 -1.183 . . . . 0.0 108.205 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -105.96 169.81 8.27 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.76 -11.54 1.45 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.668 -1.27 . . . . 0.0 109.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -63.75 -23.93 67.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.223 -0.923 . . . . 0.0 110.225 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 38.6 p -129.39 54.18 1.84 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -80.1 -11.62 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.137 -0.977 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 p -72.52 -46.87 52.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.695 -1.253 . . . . 0.0 109.876 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.67 -37.08 67.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 0.0 109.497 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.7 tp -63.58 -36.2 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.799 -1.188 . . . . 0.0 108.608 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.16 -43.39 87.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.235 -0.916 . . . . 0.0 109.232 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.61 -40.82 84.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -59.12 -51.56 69.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.0 109.148 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.44 -53.17 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.902 . . . . 0.0 109.2 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.3 -40.32 64.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.506 -0.746 . . . . 0.0 110.049 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.37 -27.05 63.86 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.143 -0.973 . . . . 0.0 109.986 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.969 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.24 -46.72 26.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 108.982 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.43 67.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.479 -0.763 . . . . 0.0 109.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.47 -55.86 5.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.135 -0.978 . . . . 0.0 109.903 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.16 -28.76 63.06 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.73 -50.29 31.48 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.316 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.25 -18.55 4.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.944 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.63 38.71 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -28.1 68.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.802 -1.186 . . . . 0.0 108.961 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -76.8 -32.62 57.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.998 -1.064 . . . . 0.0 108.977 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.5 -34.75 60.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -74.81 -23.52 58.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.084 -1.01 . . . . 0.0 110.594 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.04 53.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.801 -1.187 . . . . 0.0 109.689 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -93.93 -5.61 47.43 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.943 -1.098 . . . . 0.0 109.973 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 126.01 -45.5 1.15 Allowed Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.8 mptt -47.97 98.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 0.0 108.808 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 11.9 ptp180 -73.91 -46.01 47.07 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 110.488 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 23' ' ' VAL . 8.1 p -83.93 133.12 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.887 -1.133 . . . . 0.0 110.1 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.36 153.15 42.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.37 -0.831 . . . . 0.0 109.008 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -103.14 154.05 19.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.9 p . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.139 -0.976 . . . . 0.0 110.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.503 2.18 0 CA-C-O 120.867 0.365 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -95.17 143.49 26.56 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.809 -1.182 . . . . 0.0 107.884 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -104.49 167.37 9.78 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.59 -11.41 0.56 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.518 -1.364 . . . . 0.0 109.862 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.4 p -63.87 -23.08 67.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 110.146 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.6 p -129.81 54.13 1.87 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.349 -0.844 . . . . 0.0 110.182 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.3 p -81.83 -12.23 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.052 -1.03 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -74.11 -46.47 42.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.571 -1.331 . . . . 0.0 110.156 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 23.1 p30 -55.11 -27.63 46.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.096 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.2 tp -73.34 -35.52 66.02 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.845 -1.159 . . . . 0.0 108.395 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -63.91 -46.37 85.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.905 . . . . 0.0 109.521 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -40.44 91.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 110.084 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.14 -45.91 91.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.152 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.7 mt -56.4 -53.91 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.225 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.06 -40.2 66.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 -28.76 65.33 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.125 -0.984 . . . . 0.0 110.189 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.904 -1.122 . . . . 0.0 109.922 -179.834 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.42 -50.0 13.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.845 -1.159 . . . . 0.0 108.942 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.89 54.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 109.425 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -55.01 5.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.858 . . . . 0.0 109.685 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.89 -30.29 67.66 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.1 tpt180 -69.11 -50.27 49.56 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.45 -18.43 2.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.82 -38.84 45.45 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -31.44 70.33 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.678 -1.209 . . . . 0.0 108.709 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -77.03 -33.21 57.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.0 109.417 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 14.0 m-20 -75.91 -17.75 59.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.505 -0.747 . . . . 0.0 110.47 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -92.78 -23.88 18.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.902 -1.124 . . . . 0.0 110.344 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -8.02 50.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.117 . . . . 0.0 109.622 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -90.36 -5.33 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.846 -1.159 . . . . 0.0 110.072 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.44 -50.48 0.88 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -51.61 108.51 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.285 . . . . 0.0 108.741 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 41.3 ttp180 -79.68 -45.14 19.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.391 -0.818 . . . . 0.0 110.718 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.19 133.99 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.029 -1.044 . . . . 0.0 110.044 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.69 152.26 43.73 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.442 -0.786 . . . . 0.0 109.271 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -104.62 152.47 22.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.427 -0.796 . . . . 0.0 109.614 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.7 p . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.111 -0.993 . . . . 0.0 109.841 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.502 2.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.58 145.18 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.801 -1.187 . . . . 0.0 108.707 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -108.55 160.86 15.58 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.04 -11.41 0.45 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.4 p -59.7 -26.71 65.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.055 -1.028 . . . . 0.0 110.031 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 43.3 p -129.36 54.49 1.82 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.375 -0.828 . . . . 0.0 109.877 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.4 p -79.93 -11.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.195 -0.941 . . . . 0.0 110.319 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 p -73.28 -43.86 60.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.601 -1.312 . . . . 0.0 109.965 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.9 p30 -55.54 -33.11 63.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.967 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -68.12 -35.21 77.76 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.919 -1.113 . . . . 0.0 108.538 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -65.5 -44.55 86.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.289 -0.882 . . . . 0.0 109.329 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -66.96 -40.55 87.54 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.088 -1.008 . . . . 0.0 109.976 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.22 -51.91 67.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 0.0 109.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -53.84 -51.13 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.01 65.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.557 -0.714 . . . . 0.0 110.07 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.41 -27.05 63.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.494 1.743 0 O-C-N 120.974 -1.079 . . . . 0.0 110.095 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -77.14 -52.38 9.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.882 -1.136 . . . . 0.0 108.631 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.87 67.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.007 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.74 -54.84 6.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.25 -28.92 67.15 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.09 -49.85 40.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.333 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.89 2.22 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.139 -0.976 . . . . 0.0 108.621 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.22 -41.02 42.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -32.08 66.37 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 118.658 -1.217 . . . . 0.0 108.666 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.83 -33.77 57.91 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.026 -1.046 . . . . 0.0 109.387 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.22 -12.6 60.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.754 . . . . 0.0 110.479 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.43 -26.09 15.45 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.5 mtt -92.5 -7.15 48.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.796 -1.19 . . . . 0.0 109.673 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.49 -6.08 56.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.936 -1.102 . . . . 0.0 110.044 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.85 -49.78 0.91 Allowed Glycine 0 N--CA 1.502 3.067 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 13.3 mmmt -52.69 111.53 0.67 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.946 -1.326 . . . . 0.0 108.683 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HG3' ' H ' ' A' ' 37' ' ' ALA . 37.5 ttm180 -81.15 -43.27 19.61 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.198 -0.938 . . . . 0.0 110.229 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.3 p -85.73 134.96 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.126 -0.984 . . . . 0.0 110.208 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.4 151.85 42.24 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.452 -0.78 . . . . 0.0 108.917 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -109.93 140.26 44.12 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.371 -0.831 . . . . 0.0 109.875 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.112 -0.992 . . . . 0.0 109.103 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 121.045 0.45 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.09 142.54 27.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.877 -1.14 . . . . 0.0 108.193 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' THR . 75.3 p -101.35 161.69 13.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 22' ' ' ARG . . . -51.02 -11.43 0.09 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.435 -1.415 . . . . 0.0 110.387 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 72.7 p -61.49 -26.82 68.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.048 -1.032 . . . . 0.0 110.027 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.4 p -128.75 53.87 1.82 Allowed 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.47 -0.769 . . . . 0.0 110.011 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.7 p -78.44 -10.84 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.07 -1.019 . . . . 0.0 109.997 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 p -71.94 -46.72 56.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.681 -1.262 . . . . 0.0 109.864 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.69 -35.88 66.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 0.0 109.411 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.0 tp -64.3 -35.86 82.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.756 -1.215 . . . . 0.0 108.415 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -66.5 -45.07 80.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 109.012 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -65.01 -42.12 94.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.17 -49.56 77.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.18 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.19 -53.35 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.161 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.02 69.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.503 -0.748 . . . . 0.0 110.418 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -58.17 -28.24 64.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.987 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 N--CA 1.494 1.746 0 O-C-N 120.948 -1.095 . . . . 0.0 109.994 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -76.82 -52.32 9.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.009 -1.057 . . . . 0.0 108.692 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.78 -23.86 67.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -55.3 5.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.881 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.86 -30.47 69.0 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.019 -1.051 . . . . 0.0 108.208 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.8 tpt180 -68.01 -49.69 60.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.93 -18.81 2.15 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.771 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.64 -39.05 46.51 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -32.85 71.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.829 -1.169 . . . . 0.0 108.83 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -76.4 -34.98 58.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 109.225 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 13.1 m-20 -76.15 -9.1 58.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.448 -0.782 . . . . 0.0 110.361 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 mt -98.63 -26.1 14.5 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.525 -1.36 . . . . 0.0 110.431 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 mtt -92.14 -6.55 50.56 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.797 -1.189 . . . . 0.0 109.934 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -89.21 10.17 23.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.002 -1.061 . . . . 0.0 110.169 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.3 -45.95 1.24 Allowed Glycine 0 N--CA 1.502 3.056 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.5 mptp? -52.52 117.67 3.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -1.167 . . . . 0.0 108.32 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 30.7 ttt180 -90.03 -39.08 13.16 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.081 -1.012 . . . . 0.0 110.563 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -89.65 135.72 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.059 -1.026 . . . . 0.0 110.762 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.27 145.53 28.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 m -104.55 146.63 28.62 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.315 -0.866 . . . . 0.0 109.984 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.227 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 N--CA 1.497 1.925 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.46 141.72 28.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.959 -1.088 . . . . 0.0 108.159 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' THR . 82.4 p -97.59 164.71 12.31 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -50.25 -11.6 0.07 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.399 -1.438 . . . . 0.0 110.062 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' THR . 60.7 p -60.69 -26.92 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.057 -1.027 . . . . 0.0 110.044 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.422 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 53.1 p -128.3 54.0 1.77 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.377 -0.827 . . . . 0.0 109.804 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -80.14 -11.33 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.103 -0.998 . . . . 0.0 110.207 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.7 p -72.65 -45.72 57.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.649 -1.282 . . . . 0.0 109.971 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.6 -35.95 66.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.258 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -63.95 -37.85 88.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.825 -1.172 . . . . 0.0 108.497 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -64.41 -45.51 87.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.927 . . . . 0.0 108.979 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.52 -42.61 98.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.776 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.51 -51.89 67.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 109.188 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mt -55.52 -44.64 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.28 -0.888 . . . . 0.0 109.184 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.32 -42.79 82.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.511 -0.743 . . . . 0.0 110.155 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.53 -29.48 66.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.279 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.492 1.675 0 O-C-N 120.84 -1.163 . . . . 0.0 109.899 -179.74 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.39 -50.59 12.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.768 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -23.5 67.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.834 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.18 -55.11 6.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.055 -1.028 . . . . 0.0 109.689 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -62.21 -30.36 71.03 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.105 -0.997 . . . . 0.0 108.613 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.82 -50.3 51.28 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.38 -18.54 2.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 108.474 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.76 -37.73 48.43 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.524 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.08 74.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.745 -1.222 . . . . 0.0 109.031 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -76.85 -33.92 57.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.954 -1.092 . . . . 0.0 109.6 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 3.1 m-20 -76.39 -13.03 60.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.59 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 mt -96.21 -25.54 15.78 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.921 -1.112 . . . . 0.0 110.61 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 mtt -91.57 -6.49 52.3 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.175 . . . . 0.0 109.738 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -89.19 -5.44 57.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.883 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.83 -49.32 0.92 Allowed Glycine 0 N--CA 1.502 3.07 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -53.73 110.5 0.59 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.997 -1.296 . . . . 0.0 109.13 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 19.3 ttm-85 -80.32 -45.08 18.45 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.436 -0.79 . . . . 0.0 110.404 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 23' ' ' VAL . 11.9 p -79.64 133.85 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.021 -1.05 . . . . 0.0 109.891 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.68 153.35 48.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.427 -0.796 . . . . 0.0 109.471 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -103.91 147.14 27.68 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.353 -0.842 . . . . 0.0 109.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.032 -1.043 . . . . 0.0 110.391 -179.318 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.935 0.398 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.55 142.09 27.84 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.2 p -103.52 162.84 12.71 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.447 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.73 -11.78 0.65 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.352 -1.467 . . . . 0.0 110.303 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 p -57.11 -28.23 62.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.3 p -129.96 54.84 1.82 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.352 -0.842 . . . . 0.0 109.894 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.75 -11.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.117 -0.99 . . . . 0.0 109.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 p -72.66 -46.23 54.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.67 -1.268 . . . . 0.0 109.931 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 16.6 p30 -55.59 -29.4 59.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 109.294 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -69.59 -39.85 77.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.814 -1.179 . . . . 0.0 108.675 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -62.22 -46.46 88.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -64.79 -40.97 96.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.04 -49.07 79.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 0.0 109.653 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.84 -53.01 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.42 66.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.419 -0.801 . . . . 0.0 110.598 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -57.45 -30.7 65.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.012 -1.055 . . . . 0.0 109.729 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.493 1.687 0 O-C-N 120.948 -1.095 . . . . 0.0 109.469 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -77.13 -51.7 10.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.838 -1.164 . . . . 0.0 108.802 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.25 67.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 110.156 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.43 -55.55 5.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.974 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.05 -29.73 68.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.923 -1.11 . . . . 0.0 108.152 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.02 -49.59 56.33 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.63 -19.23 2.21 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.121 -0.987 . . . . 0.0 108.603 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.49 -40.91 48.86 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -30.62 64.79 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.604 -1.239 . . . . 0.0 108.464 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.78 -33.93 52.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.153 -0.967 . . . . 0.0 109.405 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 8.1 m-20 -75.68 -13.72 60.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 110.25 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.32 -23.88 15.92 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.128 -0.982 . . . . 0.0 110.226 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -8.58 46.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.95 -1.094 . . . . 0.0 109.152 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 p -90.67 -6.72 54.17 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.06 -1.025 . . . . 0.0 110.13 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.32 -48.37 0.97 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -49.66 113.49 0.85 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.945 -1.327 . . . . 0.0 108.506 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 33.4 ttt180 -84.07 -41.03 17.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 110.409 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 23' ' ' VAL . 14.7 p -88.02 134.58 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.029 . . . . 0.0 110.456 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.75 143.09 28.43 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -104.27 146.7 28.42 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.278 -0.889 . . . . 0.0 110.074 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.88 . . . . 0.0 109.084 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -94.37 142.2 27.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.995 -1.066 . . . . 0.0 108.195 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 38' ' ' THR . 72.0 p -99.69 164.92 11.84 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.75 -12.02 0.27 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.37 -1.456 . . . . 0.0 110.182 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 36' ' ' THR . 56.9 p -59.2 -28.64 66.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.113 -0.992 . . . . 0.0 110.058 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 25.8 p -129.93 54.84 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.427 -0.795 . . . . 0.0 109.814 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.4 p -76.09 -11.39 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.145 -0.972 . . . . 0.0 109.926 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 p -72.49 -43.16 64.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.766 -1.209 . . . . 0.0 109.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 9.5 p30 -56.12 -32.79 64.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.085 -1.009 . . . . 0.0 109.167 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.5 tp -67.79 -36.72 80.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.845 -1.16 . . . . 0.0 108.241 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.34 -47.19 80.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.867 . . . . 0.0 109.021 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -63.55 -41.78 98.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.314 -0.866 . . . . 0.0 110.128 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.72 -51.95 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 0.0 109.476 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.24 -45.23 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.43 77.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.53 -0.731 . . . . 0.0 110.468 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.41 -33.24 69.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.128 -0.982 . . . . 0.0 109.789 -179.184 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.113 . . . . 0.0 109.909 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.5 tt -78.02 -49.98 12.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.806 -1.184 . . . . 0.0 108.898 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.31 24.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.82 6.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.41 -30.03 66.54 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 7.5 tpt180 -67.48 -49.76 62.1 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.04 -18.58 2.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 0.0 108.574 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.9 -39.16 43.94 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.69 68.26 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.478 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -76.19 -32.64 59.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.127 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 9.4 m-20 -76.8 -24.42 52.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.773 . . . . 0.0 110.618 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.49 -24.83 31.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.866 -1.146 . . . . 0.0 110.578 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.79 -6.95 47.82 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.734 -1.229 . . . . 0.0 110.256 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -89.03 27.78 1.3 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.772 -1.205 . . . . 0.0 110.033 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.19 -34.66 3.22 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -70.2 110.05 4.99 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -89.75 -33.83 16.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.925 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.71 134.46 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.627 -1.296 . . . . 0.0 110.189 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -151.54 151.99 32.32 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.417 -0.802 . . . . 0.0 109.581 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -115.55 151.89 34.05 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.557 -0.714 . . . . 0.0 109.245 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.0 p . . . . . 0 N--CA 1.494 1.749 0 O-C-N 121.101 -1.0 . . . . 0.0 109.456 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.3 tm-20 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.087 0.47 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.29 144.19 43.65 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -108.67 169.14 8.85 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.54 -11.75 3.3 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.668 -1.27 . . . . 0.0 109.761 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.6 p -63.73 -21.57 66.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.1 p -129.52 54.2 1.85 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.52 -0.737 . . . . 0.0 109.847 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.4 p -82.32 -12.37 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.058 -1.027 . . . . 0.0 110.463 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.6 p -73.67 -49.87 23.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.596 -1.315 . . . . 0.0 109.809 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.37 -32.15 62.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.23 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.9 tp -66.58 -37.29 84.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.737 -1.227 . . . . 0.0 108.331 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -65.81 -47.18 75.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 0.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -62.42 -42.62 99.58 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.226 -0.921 . . . . 0.0 109.891 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.48 -51.91 67.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.331 -0.856 . . . . 0.0 109.167 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mt -55.95 -47.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.203 -0.935 . . . . 0.0 109.182 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.39 72.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.48 -0.763 . . . . 0.0 110.064 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.22 -27.51 68.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.113 -0.992 . . . . 0.0 109.935 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 N--CA 1.493 1.717 0 O-C-N 120.996 -1.065 . . . . 0.0 109.854 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -76.41 -51.6 11.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.006 -1.059 . . . . 0.0 108.639 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -24.29 67.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.66 -55.44 5.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.51 -30.44 67.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.9 tpt180 -67.55 -49.2 64.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.87 -18.67 2.04 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.035 0.921 . . . . 0.0 108.758 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.02 -40.24 47.25 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -31.71 69.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.852 -1.155 . . . . 0.0 108.896 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -76.53 -30.97 57.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.02 -1.05 . . . . 0.0 109.185 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 22.4 m-20 -76.2 -12.71 60.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.413 -0.804 . . . . 0.0 110.334 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.54 -26.99 14.61 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.111 -0.993 . . . . 0.0 110.968 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 mtt -92.33 -6.16 50.79 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.876 -1.14 . . . . 0.0 109.633 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -89.1 -5.86 57.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.011 -1.056 . . . . 0.0 109.955 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.36 -48.67 0.96 Allowed Glycine 0 N--CA 1.502 3.059 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.47 120.01 6.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.973 -1.31 . . . . 0.0 108.974 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 16.5 ttm180 -89.11 -38.44 14.34 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.417 -0.802 . . . . 0.0 110.936 -178.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 p -81.6 138.13 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.054 -1.029 . . . . 0.0 110.547 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.7 151.97 35.83 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.424 -0.797 . . . . 0.0 109.271 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -122.5 152.72 40.04 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.417 -0.802 . . . . 0.0 109.791 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.848 0.356 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -127.15 147.89 50.18 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.49 -0.756 . . . . 0.0 109.795 178.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' THR . 70.5 p -96.94 163.0 13.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.558 -1.339 . . . . 0.0 108.107 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -48.25 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.411 -1.431 . . . . 0.0 110.083 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' THR . 58.9 p -60.38 -21.85 62.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.102 -0.999 . . . . 0.0 109.69 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 m -129.1 54.54 1.8 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.534 -0.729 . . . . 0.0 109.59 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.7 p -82.7 -11.62 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.054 -1.029 . . . . 0.0 110.46 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -73.34 -48.47 34.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.646 -1.283 . . . . 0.0 109.964 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' SER . 1.3 p-10 -55.24 -32.25 62.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 109.36 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 43' ' ' LEU . 16.0 tp -67.62 -38.02 83.33 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 108.544 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -64.69 -46.38 82.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 109.252 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.238 -0.913 . . . . 0.0 110.069 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.64 -51.97 67.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.93 -44.06 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.251 -0.906 . . . . 0.0 109.175 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.56 89.14 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.951 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.71 -27.69 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 110.152 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.493 1.686 0 O-C-N 120.975 -1.078 . . . . 0.0 110.048 -179.678 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.67 -48.89 15.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.942 -1.098 . . . . 0.0 108.917 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.52 -25.31 24.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.807 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.87 -56.26 4.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 109.937 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.83 -30.12 65.5 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.57 -49.33 66.76 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.67 -19.09 2.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.259 -0.901 . . . . 0.0 108.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.95 -38.79 44.48 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.03 69.14 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 118.764 -1.175 . . . . 0.0 108.785 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -76.94 -32.45 57.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.026 -1.047 . . . . 0.0 109.225 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 47.1 m-20 -76.25 -16.48 59.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 0.0 110.422 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -94.84 -23.62 17.4 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.005 -1.059 . . . . 0.0 110.317 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -8.14 48.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.03 -1.044 . . . . 0.0 109.562 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.83 -5.13 57.18 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.967 -1.083 . . . . 0.0 110.011 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.21 -49.27 0.9 Allowed Glycine 0 N--CA 1.502 3.092 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -52.27 115.51 1.77 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.437 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 20.8 ttm180 -86.49 -39.62 16.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.339 -0.85 . . . . 0.0 110.954 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -79.42 134.04 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.919 -1.113 . . . . 0.0 110.577 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -148.85 152.56 36.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.454 -0.779 . . . . 0.0 109.31 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -117.79 152.66 34.86 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.576 -0.703 . . . . 0.0 109.538 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.191 -0.943 . . . . 0.0 109.458 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.5 tm-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.58 144.58 45.01 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.4 p -109.59 161.96 14.87 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.61 -11.75 0.62 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.194 -1.566 . . . . 0.0 110.299 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -62.08 -24.49 67.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.973 . . . . 0.0 109.784 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.46 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 97.9 p -129.1 54.74 1.78 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.468 -0.77 . . . . 0.0 109.814 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -81.72 -10.89 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 p -72.42 -47.62 47.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.661 -1.275 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 21.4 p-10 -55.39 -34.87 64.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.8 tp -65.27 -36.06 82.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.68 -1.262 . . . . 0.0 108.536 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.51 -44.08 83.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 109.223 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -66.89 -40.61 87.8 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.131 -0.981 . . . . 0.0 109.913 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.52 -52.07 67.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 109.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -53.52 -46.65 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.088 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -41.88 71.38 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -58.6 -29.33 66.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.164 -0.96 . . . . 0.0 110.236 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.904 -1.123 . . . . 0.0 109.979 -179.764 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.67 -46.45 21.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.881 -1.137 . . . . 0.0 108.937 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.64 66.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.508 -0.745 . . . . 0.0 110.038 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.29 4.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 110.105 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.85 -29.16 66.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.35 -49.74 52.74 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.38 -19.19 3.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.078 -1.014 . . . . 0.0 109.143 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.24 -37.63 32.65 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -65.13 -27.33 68.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.896 -1.127 . . . . 0.0 109.042 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -76.82 -31.83 57.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.171 -0.955 . . . . 0.0 108.614 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -75.48 -34.54 60.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.549 -0.719 . . . . 0.0 110.172 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -75.17 -23.83 57.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.169 -0.957 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -10.36 49.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.845 -1.16 . . . . 0.0 109.399 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.55 -5.92 50.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.98 -1.075 . . . . 0.0 109.78 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.33 -42.7 1.47 Allowed Glycine 0 N--CA 1.502 3.05 0 N-CA-C 110.349 -1.101 . . . . 0.0 110.349 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.7 mptp? -49.67 103.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.998 -1.295 . . . . 0.0 109.053 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -76.32 -46.27 28.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 23' ' ' VAL . 7.3 p -82.99 133.4 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.186 -0.946 . . . . 0.0 110.266 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.56 33.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.344 -0.848 . . . . 0.0 109.031 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.2 m -111.23 154.39 24.5 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.433 -0.792 . . . . 0.0 110.065 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.1 p . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.224 -0.922 . . . . 0.0 109.364 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' CG2' ' A' ' 23' ' ' VAL . 13.6 tt0 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.187 0.517 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -113.9 144.23 43.39 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 64.8 p -105.11 164.19 12.0 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.53 -11.54 0.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.307 -1.496 . . . . 0.0 110.06 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 78.6 p -63.99 -22.19 66.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.046 . . . . 0.0 110.072 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 53.1 p -128.82 53.79 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.361 -0.837 . . . . 0.0 110.14 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -82.42 -11.7 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.092 -1.005 . . . . 0.0 110.252 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -73.57 -50.08 23.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.666 -1.271 . . . . 0.0 109.968 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.05 -31.3 61.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.308 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.9 tp -69.05 -35.14 76.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.746 -1.221 . . . . 0.0 108.349 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -66.27 -47.28 74.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 108.865 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.229 -0.919 . . . . 0.0 109.802 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.42 -52.1 67.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.21 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.5 mt -54.5 -51.71 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 109.025 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.43 61.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.601 -0.687 . . . . 0.0 110.328 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.54 -27.1 68.74 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.176 -0.953 . . . . 0.0 110.029 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.98 -1.075 . . . . 0.0 109.983 -179.778 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.4 tt -77.92 -49.46 14.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.996 -1.065 . . . . 0.0 109.034 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.34 37.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.15 5.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.169 -0.957 . . . . 0.0 109.622 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.51 -30.2 69.58 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.21 -50.6 45.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.46 -18.22 2.55 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.131 -0.981 . . . . 0.0 108.739 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.74 -36.88 36.66 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.575 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -32.83 73.37 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.797 -1.189 . . . . 0.0 109.051 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -76.24 -34.17 59.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 109.491 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 1.7 m-20 -76.53 -14.81 59.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.71 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -93.69 -24.94 17.67 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.826 -1.171 . . . . 0.0 110.542 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mtt -91.11 -6.53 53.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.73 -1.231 . . . . 0.0 109.749 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -89.37 -5.32 57.57 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.921 -1.112 . . . . 0.0 109.749 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.06 -49.7 0.91 Allowed Glycine 0 N--CA 1.503 3.139 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -53.39 108.85 0.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.288 . . . . 0.0 108.977 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 21.1 ttm180 -78.48 -46.09 20.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.445 -0.784 . . . . 0.0 110.479 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.93 133.68 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.017 -1.052 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.15 153.32 43.98 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -103.52 149.14 25.14 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.29 -0.881 . . . . 0.0 109.469 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.139 -0.976 . . . . 0.0 109.401 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 120.992 0.425 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -94.02 141.65 28.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.978 -1.076 . . . . 0.0 108.119 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -99.55 162.96 12.71 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.39 -12.12 0.63 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.205 -1.559 . . . . 0.0 110.376 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.2 p -57.75 -26.62 62.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.128 -0.982 . . . . 0.0 109.933 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 31.1 p -129.61 54.13 1.86 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.392 -0.817 . . . . 0.0 109.943 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.8 p -79.06 -11.41 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.041 -1.037 . . . . 0.0 110.1 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -72.91 -46.29 53.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.693 -1.254 . . . . 0.0 109.836 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.16 -35.21 64.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.099 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 13.8 tp -64.62 -38.7 91.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.907 -1.121 . . . . 0.0 108.818 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -64.41 -43.8 93.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.147 -0.971 . . . . 0.0 109.107 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 42' ' ' ASP . 7.6 ttpm? -64.94 -42.29 94.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.241 -0.912 . . . . 0.0 109.661 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.17 -51.82 67.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 0.0 109.21 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.09 -51.56 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.192 -0.942 . . . . 0.0 109.279 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.08 62.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.562 -0.711 . . . . 0.0 110.152 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -28.73 65.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.111 -0.993 . . . . 0.0 110.025 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.976 -179.671 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.2 tt -78.14 -49.65 13.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.853 -1.154 . . . . 0.0 109.013 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.61 50.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.86 . . . . 0.0 109.773 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.81 -55.49 5.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.74 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.79 -29.48 66.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.6 tpt180 -68.99 -49.92 53.54 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -18.57 2.05 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.067 0.937 . . . . 0.0 108.633 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.5 -42.15 36.76 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -28.0 61.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.668 -1.213 . . . . 0.0 108.378 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.238 -0.914 . . . . 0.0 109.292 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.25 -30.32 57.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 110.401 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.33 -23.69 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 110.087 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -12.67 30.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.955 -1.091 . . . . 0.0 109.716 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.69 -5.34 55.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.881 -1.137 . . . . 0.0 110.168 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.34 -50.2 0.89 Allowed Glycine 0 N--CA 1.502 3.091 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -51.84 102.03 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.943 -1.328 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -77.84 -42.41 33.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 110.827 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 p -82.39 133.87 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.886 -1.134 . . . . 0.0 110.043 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.41 37.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.362 -0.836 . . . . 0.0 109.081 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 m -105.43 139.28 40.29 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.419 -0.801 . . . . 0.0 109.969 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.971 . . . . 0.0 109.056 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.969 0.414 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.95 141.79 28.12 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.8 p -100.87 171.52 7.61 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.21 -11.7 0.8 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.739 -1.225 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 70.2 p -63.66 -25.84 68.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.258 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.1 p -127.95 53.81 1.76 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.921 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.1 p -79.82 -11.25 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 110.122 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.0 p -72.48 -46.7 53.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.75 -1.219 . . . . 0.0 109.841 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.79 -36.65 67.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.173 -0.954 . . . . 0.0 109.342 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.0 tp -63.44 -36.79 84.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.886 -1.134 . . . . 0.0 108.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -66.31 -44.65 82.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.213 -0.929 . . . . 0.0 109.022 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.83 -42.72 97.57 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.114 -0.991 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -58.64 -51.35 70.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.0 -53.59 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.75 63.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 110.733 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.37 -29.58 66.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.078 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 N--CA 1.494 1.774 0 O-C-N 120.892 -1.13 . . . . 0.0 109.836 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.75 -50.4 12.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 108.799 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.31 57.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 -55.01 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.14 -29.83 63.93 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.7 tpt180 -69.8 -50.42 43.23 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -18.13 2.86 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.182 -0.949 . . . . 0.0 108.821 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -78.88 -37.69 39.55 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -31.93 72.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.832 -1.168 . . . . 0.0 108.962 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -76.08 -32.1 59.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.026 -1.046 . . . . 0.0 109.378 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.25 -32.42 58.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.33 -0.856 . . . . 0.0 110.223 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.54 -25.6 57.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.965 -1.084 . . . . 0.0 110.915 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.1 mtt -91.08 -8.58 48.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.598 -1.314 . . . . 0.0 109.575 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.29 -6.06 51.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.045 -1.035 . . . . 0.0 109.702 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 129.96 -47.74 1.0 Allowed Glycine 0 N--CA 1.502 3.068 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.7 mptt -48.98 97.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.945 -1.327 . . . . 0.0 109.172 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' GLY . 30.1 ttm180 -69.76 -49.13 56.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.086 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.98 133.63 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.032 -1.042 . . . . 0.0 109.856 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.37 148.86 41.93 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -103.47 142.44 34.25 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.295 -0.878 . . . . 0.0 109.857 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 18.3 mp0 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 120.724 0.297 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.23 142.69 27.03 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' THR . 73.8 p -99.25 163.57 12.49 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -49.72 -11.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.429 -1.419 . . . . 0.0 110.211 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.2 p -65.58 -27.04 68.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.095 -1.003 . . . . 0.0 109.91 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 92.9 p -121.31 51.64 1.27 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.463 -0.773 . . . . 0.0 109.697 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.0 p -83.44 -11.77 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.186 -0.946 . . . . 0.0 110.337 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -73.16 -49.14 29.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.615 -1.303 . . . . 0.0 109.755 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.3 p-10 -55.33 -32.54 62.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.0 tp -66.51 -36.36 82.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.705 -1.247 . . . . 0.0 108.497 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -66.46 -44.6 82.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.314 -0.866 . . . . 0.0 109.247 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HZ3' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -65.02 -41.98 94.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.12 -0.988 . . . . 0.0 109.67 -179.671 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.97 -52.0 67.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.862 . . . . 0.0 108.956 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.1 mt -55.91 -45.01 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.34 -0.85 . . . . 0.0 109.161 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.55 69.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 0.0 110.285 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.71 -25.92 65.01 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.18 -0.95 . . . . 0.0 109.986 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.009 -1.057 . . . . 0.0 110.248 -179.633 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.75 -49.99 13.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.892 -1.13 . . . . 0.0 108.993 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.38 -24.3 54.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 0.0 109.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.78 -55.24 5.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 109.576 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.4 -28.86 65.6 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.41 -50.2 34.26 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.81 2.17 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.159 0.98 . . . . 0.0 108.492 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.22 -41.94 47.62 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -30.58 64.44 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.557 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -76.99 -32.53 57.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.034 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.39 -25.84 54.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.494 -0.753 . . . . 0.0 110.459 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.2 mt -84.7 -23.36 29.39 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.052 -1.03 . . . . 0.0 110.409 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -8.12 49.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.014 -1.054 . . . . 0.0 109.873 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -90.34 -4.87 56.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.897 -1.127 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.82 -50.16 0.87 Allowed Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.49 110.18 0.48 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.975 -1.309 . . . . 0.0 108.491 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 12.2 ptp180 -83.2 -41.59 18.24 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.332 -0.855 . . . . 0.0 110.932 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.5 p -79.44 134.23 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.973 -1.08 . . . . 0.0 110.112 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.93 43.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.525 -0.735 . . . . 0.0 109.247 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -104.05 151.5 23.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.342 -0.849 . . . . 0.0 109.599 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.0 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.042 -1.036 . . . . 0.0 110.207 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.502 2.136 0 CA-C-O 120.862 0.363 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.7 145.34 25.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.92 -1.112 . . . . 0.0 108.155 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 p -108.89 172.22 6.97 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -11.88 18.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.711 -1.243 . . . . 0.0 109.811 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 p -57.55 -25.27 59.68 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.195 -0.941 . . . . 0.0 110.21 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 3.9 t -133.46 55.61 1.89 Allowed 'General case' 0 N--CA 1.514 2.76 0 O-C-N 121.269 -0.894 . . . . 0.0 110.123 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.4 p -75.01 -11.31 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.981 -1.074 . . . . 0.0 109.651 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -72.58 -45.81 57.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.837 -1.164 . . . . 0.0 109.898 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.73 -36.07 66.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.0 109.311 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.1 tp -64.84 -35.2 80.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.835 -1.166 . . . . 0.0 108.68 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -66.66 -41.49 88.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.301 -0.874 . . . . 0.0 109.554 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -39.29 74.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.014 -1.054 . . . . 0.0 109.898 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -61.74 -45.12 95.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.198 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.19 -53.88 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.17 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.88 61.9 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.448 -0.783 . . . . 0.0 110.143 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.92 -29.17 66.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 109.901 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 N--CA 1.494 1.742 0 O-C-N 120.978 -1.076 . . . . 0.0 109.677 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.33 -48.95 18.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.876 -1.14 . . . . 0.0 108.961 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.16 -23.84 66.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.77 . . . . 0.0 109.627 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.65 5.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 0.0 110.033 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.14 -29.33 67.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.433 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.4 tpt180 -68.43 -50.02 55.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.01 -18.45 2.02 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.195 -0.941 . . . . 0.0 108.539 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.83 -41.4 44.36 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.08 64.75 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.495 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -77.08 -32.28 56.6 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.069 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.35 -27.87 56.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.54 -0.725 . . . . 0.0 110.419 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.0 -23.45 33.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.045 -1.034 . . . . 0.0 110.423 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -8.16 46.99 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.954 -1.091 . . . . 0.0 110.09 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.01 -4.9 57.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.753 -1.217 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.19 -50.0 0.88 Allowed Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -53.78 116.76 2.69 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.246 . . . . 0.0 108.181 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.559 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -89.84 -35.06 15.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.126 -0.984 . . . . 0.0 111.311 -178.124 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 23' ' ' VAL . 13.1 p -83.9 134.23 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.664 -1.272 . . . . 0.0 110.02 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.33 152.51 44.48 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.43 -0.794 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -106.52 144.1 33.69 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.373 -0.829 . . . . 0.0 109.7 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.954 -1.091 . . . . 0.0 109.568 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.5 2.059 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -94.27 141.66 28.3 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -100.87 171.6 7.56 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.14 -11.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.78 -1.2 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -65.03 -24.08 67.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 109.901 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 60.4 p -125.6 53.3 1.57 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.407 -0.808 . . . . 0.0 109.679 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -83.37 -12.69 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -0.961 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -73.3 -49.81 25.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.563 -1.336 . . . . 0.0 109.698 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.4 p-10 -55.44 -31.61 62.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.7 tp -65.58 -37.55 86.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.71 -1.244 . . . . 0.0 108.224 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -65.06 -46.36 81.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.923 . . . . 0.0 109.365 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -64.15 -41.95 96.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.901 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -57.94 -52.04 67.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.7 -48.31 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 0.0 109.347 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.43 -44.41 68.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.521 -0.737 . . . . 0.0 110.504 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.17 -29.44 65.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.141 -0.975 . . . . 0.0 110.328 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.789 -1.195 . . . . 0.0 109.804 -179.743 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t -63.84 -47.7 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.218 -0.926 . . . . 0.0 109.476 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -51.0 -38.37 50.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.271 -0.893 . . . . 0.0 109.379 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.0 -41.82 71.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 109.25 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.05 -48.76 42.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.49 -20.36 12.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.114 -0.991 . . . . 0.0 109.176 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 7' ' ' LEU . 2.7 tt -77.65 -50.11 13.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.947 -1.096 . . . . 0.0 108.976 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.59 46.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.01 5.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 109.585 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.31 -30.02 68.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.48 -50.14 48.17 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.17 -18.76 2.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.189 -0.944 . . . . 0.0 108.482 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.16 -40.79 51.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.38 67.97 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.646 -1.222 . . . . 0.0 108.632 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -77.18 -33.13 56.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.094 -1.004 . . . . 0.0 109.362 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 12.3 m-20 -76.19 -17.59 59.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.454 -0.779 . . . . 0.0 110.453 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -93.23 -23.48 18.52 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.928 -1.108 . . . . 0.0 110.385 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -7.84 51.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.388 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.36 -5.5 56.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.879 -1.138 . . . . 0.0 110.095 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.03 -48.85 0.93 Allowed Glycine 0 N--CA 1.503 3.157 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.45 112.75 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.937 -1.331 . . . . 0.0 108.765 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 15.3 ttm180 -82.35 -42.62 18.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.487 -0.758 . . . . 0.0 110.664 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 134.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.05 -1.031 . . . . 0.0 110.263 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.61 152.71 47.03 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.453 -0.779 . . . . 0.0 109.273 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 m -104.84 149.53 25.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.333 -0.854 . . . . 0.0 109.606 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.1 p -146.22 128.34 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.067 -1.021 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.743 HE22 ' HE ' ' A' ' 32' ' ' ARG . 28.8 mm-40 -84.97 116.62 23.48 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' NZ ' ' CZ ' ' A' ' 46' ' ' TYR . 55.6 tttp -131.29 114.68 15.32 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.374 -0.829 . . . . 0.0 109.723 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.27 35.71 23.44 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.398 -1.439 . . . . 0.0 109.342 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.84 8.21 60.39 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -118.51 131.98 56.23 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.436 -1.038 . . . . 0.0 109.191 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.743 ' HE ' HE22 ' A' ' 27' ' ' GLN . 88.1 mtt180 -88.72 146.28 25.14 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.582 0.706 . . . . 0.0 111.334 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.46 146.35 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.48 102.37 10.24 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.805 -0.56 . . . . 0.0 111.03 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -95.13 144.51 25.7 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.972 -1.08 . . . . 0.0 108.188 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 38' ' ' THR . 60.9 p -107.94 162.03 14.39 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.21 -11.89 0.21 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.401 -1.437 . . . . 0.0 110.357 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 36' ' ' THR . 69.7 p -60.4 -26.18 66.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.077 -1.014 . . . . 0.0 109.996 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 47.7 p -128.31 53.92 1.78 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.365 -0.834 . . . . 0.0 109.838 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.2 p -79.2 -11.24 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.166 -0.959 . . . . 0.0 110.158 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.3 p -72.36 -46.99 52.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.689 -1.257 . . . . 0.0 109.728 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.69 -36.8 67.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.342 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tp -63.29 -35.93 81.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.811 -1.181 . . . . 0.0 108.75 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -67.0 -40.99 87.44 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.566 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -71.17 -39.26 71.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.059 -1.026 . . . . 0.0 109.842 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 50.4 t80 -60.01 -51.14 70.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 109.122 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -52.58 -52.13 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.096 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.39 62.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 110.012 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.5 -26.39 63.4 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 110.072 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.95 -32.12 39.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.994 -1.066 . . . . 0.0 110.129 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -68.28 -27.37 66.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.908 -1.12 . . . . 0.0 108.986 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.6 -28.51 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.221 -0.924 . . . . 0.0 109.227 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.64 -30.35 52.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.219 -0.925 . . . . 0.0 109.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -84.41 15.16 3.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.95 . . . . 0.0 108.964 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.74 -63.32 1.28 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 56' ' ' MET . 4.3 mpp? -76.14 155.86 34.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.206 -1.173 . . . . 0.0 109.486 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' THR . 1.8 t -72.04 24.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 0.0 109.873 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 56' ' ' MET . 26.8 tt0 71.23 -53.06 0.68 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.618 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 67.25 -70.03 0.12 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.574 HH11 ' CG ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -170.8 -154.8 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.907 . . . . 0.0 109.421 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -51.68 178.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.567 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG12 ' OE1' ' A' ' 6' ' ' GLU . 46.2 t -148.19 -39.26 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.79 -33.2 34.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.361 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -59.95 -50.21 74.64 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.291 -0.88 . . . . 0.0 109.385 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 21.9 mp0 -69.28 -48.21 62.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -0.851 . . . . 0.0 109.677 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 4.2 mp0 -57.93 -19.07 27.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.962 . . . . 0.0 109.522 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.42 -50.44 14.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.844 -1.16 . . . . 0.0 108.973 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.35 67.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.373 -0.83 . . . . 0.0 109.567 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.55 -55.06 5.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.63 -28.95 64.15 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HG2' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.92 -50.11 45.42 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.38 -18.64 2.71 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.102 -0.999 . . . . 0.0 108.514 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.61 -40.06 50.57 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -32.5 70.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.813 -1.179 . . . . 0.0 108.777 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -77.02 -33.52 57.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.405 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 16.7 m-20 -76.16 -13.71 60.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 110.525 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.86 -26.33 16.23 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.974 -1.079 . . . . 0.0 110.618 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 mtt -92.25 -6.26 50.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.721 -1.237 . . . . 0.0 109.749 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -5.84 56.96 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.944 -1.097 . . . . 0.0 109.996 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.23 -50.16 0.9 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -55.36 115.76 2.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.952 -1.323 . . . . 0.0 108.813 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 35.3 ttp180 -83.11 -41.68 18.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.356 -0.84 . . . . 0.0 110.614 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.31 134.17 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.956 -1.09 . . . . 0.0 109.942 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.66 151.84 51.84 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -105.11 141.52 36.51 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.343 -0.848 . . . . 0.0 109.799 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.2 p -146.25 129.46 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.072 -1.018 . . . . 0.0 109.77 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -82.93 123.59 29.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' GLY . 62.8 tttm -136.17 140.24 43.45 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.425 -0.797 . . . . 0.0 108.854 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 2.5 p30 42.85 25.96 0.06 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.824 -1.173 . . . . 0.0 110.253 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 90.56 -34.28 4.25 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -89.41 142.35 27.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.14 -1.212 . . . . 0.0 109.611 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -92.94 147.68 22.63 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.787 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.06 147.46 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -110.37 103.55 12.21 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.887 -0.508 . . . . 0.0 110.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.84 143.48 26.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.874 -1.141 . . . . 0.0 108.348 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -102.89 162.24 13.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.33 -11.55 0.53 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.348 -1.47 . . . . 0.0 110.518 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.7 p -57.18 -28.59 62.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.033 -1.042 . . . . 0.0 110.16 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.8 p -130.15 54.93 1.83 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.323 -0.861 . . . . 0.0 109.852 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.7 p -76.77 -11.57 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.053 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -72.34 -44.18 63.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.719 -1.238 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 12.6 p30 -55.74 -30.58 61.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 0.0 109.192 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.02 -36.06 74.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.799 -1.188 . . . . 0.0 108.235 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -64.43 -47.66 78.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.287 -0.883 . . . . 0.0 109.146 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.83 -42.37 99.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 110.051 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.0 -51.43 70.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.165 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.86 -50.2 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.272 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.0 63.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.475 -0.765 . . . . 0.0 110.437 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.83 -28.52 66.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.153 -0.967 . . . . 0.0 110.739 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.57 -32.87 28.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.859 -1.15 . . . . 0.0 110.538 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -62.88 -29.86 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.731 -1.23 . . . . 0.0 109.039 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -83.45 -30.41 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.356 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.09 -37.1 34.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 109.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 56' ' ' MET . 2.6 m -91.91 30.69 1.35 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.133 -0.98 . . . . 0.0 109.393 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.94 30.84 0.92 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.7 OUTLIER -72.21 143.93 48.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -1.184 . . . . 0.0 109.43 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -174.87 55.23 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 0.0 109.377 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -82.75 -170.58 3.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.205 -0.935 . . . . 0.0 109.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -167.05 81.64 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.418 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.88 158.45 22.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.566 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.568 HH11 ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER 57.5 98.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.911 . . . . 0.0 109.41 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 118.042 -1.421 . . . . 0.0 109.596 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.307 0.575 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.37 -20.56 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.568 HH11 ' CG ' ' A' ' 3' ' ' ARG . 3.4 mtt-85 -65.91 -29.13 69.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -41.58 99.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.868 . . . . 0.0 109.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -73.86 -48.56 30.23 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.724 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -20.49 12.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.053 -1.029 . . . . 0.0 109.088 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.2 tt -77.48 -50.05 13.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.953 -1.092 . . . . 0.0 108.857 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.21 61.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.465 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.77 -54.95 5.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.563 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.03 -30.41 68.0 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.3 tpt180 -68.79 -50.09 53.17 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.22 3.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.154 -0.966 . . . . 0.0 108.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.4 -36.83 38.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -29.37 70.44 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.816 -1.154 . . . . 0.0 108.944 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.9 -32.06 57.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.076 -1.015 . . . . 0.0 109.036 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.77 -34.8 60.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.127 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.26 -23.53 57.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.656 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -8.81 50.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.875 -1.141 . . . . 0.0 109.465 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -94.37 -6.16 44.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.04 -1.038 . . . . 0.0 109.925 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.25 -46.3 1.09 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 12.0 mptt -47.94 99.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.085 -1.244 . . . . 0.0 109.141 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 HH11 ' HG3' ' A' ' 22' ' ' ARG . 15.5 ttm-85 -72.41 -49.12 36.02 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.362 -0.836 . . . . 0.0 110.092 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.84 134.33 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 110.101 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.0 44.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.358 -0.839 . . . . 0.0 108.984 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 m -104.22 154.35 19.87 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.32 -0.863 . . . . 0.0 109.846 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -146.71 130.91 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 109.868 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -85.68 118.04 24.94 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -133.76 114.6 13.58 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.257 -0.902 . . . . 0.0 109.658 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.79 44.58 28.24 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.356 -1.465 . . . . 0.0 109.422 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.6 63.95 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -135.28 131.99 37.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.426 -1.044 . . . . 0.0 108.922 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -91.59 145.19 24.8 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.59 0.709 . . . . 0.0 111.495 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.0 t -143.19 145.61 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -112.34 102.38 10.52 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.83 -0.544 . . . . 0.0 110.904 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -95.42 145.96 24.76 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.866 -1.146 . . . . 0.0 108.673 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -110.48 162.01 15.11 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -53.69 -11.89 0.44 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.241 -1.537 . . . . 0.0 110.307 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -61.03 -25.75 67.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.022 -1.048 . . . . 0.0 110.13 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 36.6 p -129.57 54.47 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.325 -0.859 . . . . 0.0 110.025 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.0 p -79.87 -11.84 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.089 -1.007 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.8 p -73.45 -46.12 50.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.577 -1.327 . . . . 0.0 110.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 17.5 p30 -55.17 -29.24 57.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.095 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.59 -37.3 73.88 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.802 -1.187 . . . . 0.0 108.271 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -63.03 -48.57 78.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.219 -0.926 . . . . 0.0 109.012 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -61.24 -42.89 99.4 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 110.092 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.17 -52.17 66.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -53.81 -51.45 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.097 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -41.62 63.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.548 -0.72 . . . . 0.0 110.082 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -58.63 -27.56 64.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.141 -0.975 . . . . 0.0 110.204 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -83.17 -30.73 27.59 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.982 -1.074 . . . . 0.0 110.218 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.99 -1.069 . . . . 0.0 109.684 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.9 t -84.04 -28.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 109.763 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.92 -37.02 48.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 109.876 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -86.06 18.36 3.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 0.0 109.605 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.15 71.87 0.49 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -169.88 133.31 1.2 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -1.15 . . . . 0.0 109.558 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.4 p -153.65 -10.86 0.15 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.25 -0.906 . . . . 0.0 109.4 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -83.73 -35.63 24.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 50.92 61.41 3.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.219 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 47.93 -127.81 1.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HD3' ' H ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -79.09 51.41 1.15 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.039 -1.423 . . . . 0.0 109.546 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.4 t -58.6 -30.48 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.0 109.564 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -69.6 -27.65 65.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.431 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -73.16 -35.97 66.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.16 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -74.56 -48.82 24.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 110.143 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -58.88 -20.01 47.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.092 -1.005 . . . . 0.0 109.531 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.5 tt -77.54 -50.3 12.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 109.013 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -27.01 63.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.28 -54.81 6.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -56.07 -28.98 59.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.518 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.95 -49.9 40.43 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.04 -18.63 2.17 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.088 -1.007 . . . . 0.0 108.548 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.33 -42.94 43.3 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -31.29 63.88 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.705 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -76.45 -33.7 58.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.05 . . . . 0.0 109.425 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -76.84 -24.94 52.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 110.491 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.87 -26.36 34.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.959 -1.088 . . . . 0.0 110.596 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.2 mtt -92.54 -8.17 45.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.706 -1.246 . . . . 0.0 109.635 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -92.7 -6.04 50.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.999 -1.063 . . . . 0.0 109.967 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.42 -50.86 0.87 Allowed Glycine 0 N--CA 1.504 3.169 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -50.8 93.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.95 -1.323 . . . . 0.0 108.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLY . 63.7 mtm180 -68.05 -50.99 51.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.594 -0.691 . . . . 0.0 109.792 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -77.95 133.87 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.045 -1.034 . . . . 0.0 109.57 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.57 152.47 50.51 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -103.64 144.6 31.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.298 -0.876 . . . . 0.0 109.847 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.0 p -145.57 128.55 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.122 -0.986 . . . . 0.0 110.034 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -83.08 116.59 22.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -133.92 129.52 36.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.325 -0.859 . . . . 0.0 109.592 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 52.31 31.08 8.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.323 -1.486 . . . . 0.0 109.345 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.36 -27.85 2.4 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 141.42 28.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.236 -1.155 . . . . 0.0 109.196 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -94.8 147.6 23.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.87 -0.519 . . . . 0.0 109.684 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.27 147.17 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.43 102.87 11.2 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.791 -0.568 . . . . 0.0 110.899 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.45 143.71 26.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.807 -1.183 . . . . 0.0 108.205 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -105.96 169.81 8.27 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.76 -11.54 1.45 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.668 -1.27 . . . . 0.0 109.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -63.75 -23.93 67.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.223 -0.923 . . . . 0.0 110.225 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 38.6 p -129.39 54.18 1.84 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -80.1 -11.62 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.137 -0.977 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 p -72.52 -46.87 52.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.695 -1.253 . . . . 0.0 109.876 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.67 -37.08 67.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 0.0 109.497 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.7 tp -63.58 -36.2 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.799 -1.188 . . . . 0.0 108.608 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.16 -43.39 87.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.235 -0.916 . . . . 0.0 109.232 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.61 -40.82 84.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -59.12 -51.56 69.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.0 109.148 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.44 -53.17 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.902 . . . . 0.0 109.2 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.3 -40.32 64.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.506 -0.746 . . . . 0.0 110.049 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.37 -27.05 63.86 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.143 -0.973 . . . . 0.0 109.986 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -81.18 -31.16 34.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.969 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.23 -30.69 71.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.98 -1.075 . . . . 0.0 109.236 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.24 -29.57 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -79.74 -37.07 36.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -97.84 14.46 27.01 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.91 95.56 1.42 Allowed Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -78.61 163.06 25.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -1.119 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.497 HG21 HH11 ' A' ' 60' ' ' ARG . 8.2 p -78.97 135.7 37.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 0.0 109.44 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ARG . 30.0 tt0 -81.01 115.15 20.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.658 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.436 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 56.54 105.6 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.656 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.497 HH11 HG21 ' A' ' 57' ' ' THR . 56.7 ttt180 -171.15 48.5 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.453 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -77.71 -40.25 41.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.244 -0.91 . . . . 0.0 109.38 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.535 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mmm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.3 t -147.65 -39.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.259 -0.901 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -53.21 -21.25 4.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.324 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -72.12 -50.54 27.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.283 -0.886 . . . . 0.0 108.885 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.28 -41.49 80.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.486 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.02 -18.48 64.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.24 -46.72 26.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 108.982 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.43 67.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.479 -0.763 . . . . 0.0 109.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.47 -55.86 5.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.135 -0.978 . . . . 0.0 109.903 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.16 -28.76 63.06 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.73 -50.29 31.48 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.316 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.25 -18.55 4.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.944 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.63 38.71 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -28.1 68.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.802 -1.186 . . . . 0.0 108.961 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -76.8 -32.62 57.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.998 -1.064 . . . . 0.0 108.977 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.5 -34.75 60.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -74.81 -23.52 58.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.084 -1.01 . . . . 0.0 110.594 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.04 53.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.801 -1.187 . . . . 0.0 109.689 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -93.93 -5.61 47.43 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.943 -1.098 . . . . 0.0 109.973 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 126.01 -45.5 1.15 Allowed Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.8 mptt -47.97 98.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 0.0 108.808 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 11.9 ptp180 -73.91 -46.01 47.07 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 110.488 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 23' ' ' VAL . 8.1 p -83.93 133.12 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.887 -1.133 . . . . 0.0 110.1 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.36 153.15 42.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.37 -0.831 . . . . 0.0 109.008 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -103.14 154.05 19.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.9 p -147.89 132.52 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.139 -0.976 . . . . 0.0 110.12 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -83.65 117.95 23.53 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -129.89 116.27 18.41 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.277 -0.889 . . . . 0.0 109.81 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.2 t70 53.53 34.1 17.68 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.397 -1.439 . . . . 0.0 109.762 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.09 30.82 67.16 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -140.33 135.61 32.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -1.133 . . . . 0.0 109.039 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -87.95 141.02 28.91 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.605 0.717 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -143.65 145.76 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -114.16 102.78 10.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.772 -0.58 . . . . 0.0 111.295 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -95.17 143.49 26.56 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.809 -1.182 . . . . 0.0 107.884 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -104.49 167.37 9.78 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.59 -11.41 0.56 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.518 -1.364 . . . . 0.0 109.862 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.4 p -63.87 -23.08 67.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 110.146 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.6 p -129.81 54.13 1.87 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.349 -0.844 . . . . 0.0 110.182 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.3 p -81.83 -12.23 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.052 -1.03 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -74.11 -46.47 42.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.571 -1.331 . . . . 0.0 110.156 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 23.1 p30 -55.11 -27.63 46.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.096 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.2 tp -73.34 -35.52 66.02 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.845 -1.159 . . . . 0.0 108.395 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -63.91 -46.37 85.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.905 . . . . 0.0 109.521 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -40.44 91.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 110.084 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.14 -45.91 91.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.152 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 67.7 mt -56.4 -53.91 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.225 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.06 -40.2 66.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 -28.76 65.33 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.125 -0.984 . . . . 0.0 110.189 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt -78.29 -33.33 49.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.904 -1.122 . . . . 0.0 109.922 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -62.2 -28.96 70.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.942 -1.099 . . . . 0.0 108.935 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.41 -29.35 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.17 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -79.3 -37.07 38.6 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.075 -1.016 . . . . 0.0 109.163 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 p -94.88 18.65 11.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.208 -0.932 . . . . 0.0 109.052 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.07 98.42 0.12 Allowed Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.8 mtt -88.75 75.37 8.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.268 -1.137 . . . . 0.0 109.348 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' GLN . 24.0 m 52.1 74.9 0.24 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.906 . . . . 0.0 109.466 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 57' ' ' THR . 38.8 tt0 61.17 134.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.789 0.804 . . . . 0.0 109.623 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -92.42 128.54 38.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.533 -0.73 . . . . 0.0 109.761 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -167.06 -113.76 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 109.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 54.03 73.35 0.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.01 -1.056 . . . . 0.0 109.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.526 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.93 -24.16 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.431 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.584 HH11 ' CG ' ' A' ' 3' ' ' ARG . 3.8 mtt-85 -61.08 -33.9 74.06 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.908 . . . . 0.0 109.469 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -61.81 -50.6 71.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.76 78.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 109.645 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.71 -19.47 50.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.106 -0.996 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.42 -50.0 13.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.845 -1.159 . . . . 0.0 108.942 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.89 54.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 109.425 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -55.01 5.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.858 . . . . 0.0 109.685 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.89 -30.29 67.66 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.1 tpt180 -69.11 -50.27 49.56 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.45 -18.43 2.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.82 -38.84 45.45 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -31.44 70.33 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.678 -1.209 . . . . 0.0 108.709 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -77.03 -33.21 57.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.0 109.417 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 14.0 m-20 -75.91 -17.75 59.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.505 -0.747 . . . . 0.0 110.47 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -92.78 -23.88 18.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.902 -1.124 . . . . 0.0 110.344 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -8.02 50.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.117 . . . . 0.0 109.622 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -90.36 -5.33 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.846 -1.159 . . . . 0.0 110.072 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.44 -50.48 0.88 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -51.61 108.51 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.285 . . . . 0.0 108.741 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 41.3 ttp180 -79.68 -45.14 19.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.391 -0.818 . . . . 0.0 110.718 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.19 133.99 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.029 -1.044 . . . . 0.0 110.044 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.69 152.26 43.73 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.442 -0.786 . . . . 0.0 109.271 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -104.62 152.47 22.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.427 -0.796 . . . . 0.0 109.614 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.7 p -146.62 128.86 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.111 -0.993 . . . . 0.0 109.841 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -84.69 99.16 10.64 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -106.85 115.4 30.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.471 -0.768 . . . . 0.0 109.509 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 56.34 28.44 13.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.327 -1.483 . . . . 0.0 109.354 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.19 -23.3 9.83 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.27 139.19 31.82 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.048 -1.266 . . . . 0.0 109.02 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.84 144.85 25.31 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.438 0.637 . . . . 0.0 109.881 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.85 145.73 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.27 102.53 11.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.811 -0.555 . . . . 0.0 110.772 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.58 145.18 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.801 -1.187 . . . . 0.0 108.707 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -108.55 160.86 15.58 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.04 -11.41 0.45 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.4 p -59.7 -26.71 65.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.055 -1.028 . . . . 0.0 110.031 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 43.3 p -129.36 54.49 1.82 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.375 -0.828 . . . . 0.0 109.877 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.4 p -79.93 -11.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.195 -0.941 . . . . 0.0 110.319 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 p -73.28 -43.86 60.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.601 -1.312 . . . . 0.0 109.965 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.9 p30 -55.54 -33.11 63.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.967 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -68.12 -35.21 77.76 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.919 -1.113 . . . . 0.0 108.538 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -65.5 -44.55 86.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.289 -0.882 . . . . 0.0 109.329 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -66.96 -40.55 87.54 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.088 -1.008 . . . . 0.0 109.976 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.22 -51.91 67.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 0.0 109.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -53.84 -51.13 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.01 65.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.557 -0.714 . . . . 0.0 110.07 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.41 -27.05 63.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.87 -32.29 40.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.974 -1.079 . . . . 0.0 110.095 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -68.4 -27.67 66.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.978 -1.076 . . . . 0.0 109.022 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.6 t -80.88 -29.11 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.186 -0.946 . . . . 0.0 109.214 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -79.31 -34.18 42.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.154 -0.967 . . . . 0.0 109.448 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -90.67 16.95 8.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.246 -0.909 . . . . 0.0 109.051 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.09 -86.89 1.01 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.23 138.39 4.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -1.058 . . . . 0.0 110.022 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -83.31 137.67 33.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.341 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.99 129.84 41.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.0 109.446 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -151.35 -65.11 0.18 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -58.87 125.25 22.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 109.373 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' A' ' 61' ' ' ARG . 1.7 tpm_? -161.34 40.59 0.15 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.583 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t -147.85 -22.81 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.288 -0.882 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -62.88 -32.95 74.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.45 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -59.18 -50.76 72.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 0.0 109.303 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 22.2 mp0 -65.39 -44.76 86.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.25 -18.78 17.79 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.175 -0.953 . . . . 0.0 109.473 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -77.14 -52.38 9.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.882 -1.136 . . . . 0.0 108.631 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.87 67.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.007 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.74 -54.84 6.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.25 -28.92 67.15 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HG2' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.09 -49.85 40.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.333 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.89 2.22 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.139 -0.976 . . . . 0.0 108.621 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.22 -41.02 42.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -32.08 66.37 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 118.658 -1.217 . . . . 0.0 108.666 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.83 -33.77 57.91 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.026 -1.046 . . . . 0.0 109.387 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.22 -12.6 60.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.754 . . . . 0.0 110.479 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.43 -26.09 15.45 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.5 mtt -92.5 -7.15 48.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.796 -1.19 . . . . 0.0 109.673 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.49 -6.08 56.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.936 -1.102 . . . . 0.0 110.044 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.85 -49.78 0.91 Allowed Glycine 0 N--CA 1.502 3.067 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 13.3 mmmt -52.69 111.53 0.67 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.946 -1.326 . . . . 0.0 108.683 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HG3' ' H ' ' A' ' 37' ' ' ALA . 37.5 ttm180 -81.15 -43.27 19.61 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.198 -0.938 . . . . 0.0 110.229 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.3 p -85.73 134.96 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.126 -0.984 . . . . 0.0 110.208 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.4 151.85 42.24 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.452 -0.78 . . . . 0.0 108.917 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -109.93 140.26 44.12 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.371 -0.831 . . . . 0.0 109.875 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.43 143.44 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.112 -0.992 . . . . 0.0 109.103 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -82.8 121.85 27.45 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 31' ' ' ARG . 85.8 tttt -137.45 137.7 39.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.191 -0.943 . . . . 0.0 109.469 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.7 t0 50.71 30.49 5.02 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.44 -1.413 . . . . 0.0 109.459 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.91 -29.4 2.41 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' LYS . 4.5 tpp180 -97.84 139.82 33.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.332 -1.099 . . . . 0.0 109.249 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -86.95 146.74 26.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.467 0.651 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.9 t -142.61 147.8 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -106.25 103.79 13.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.92 -0.487 . . . . 0.0 110.587 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.09 142.54 27.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.877 -1.14 . . . . 0.0 108.193 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' THR . 75.3 p -101.35 161.69 13.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 22' ' ' ARG . . . -51.02 -11.43 0.09 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.435 -1.415 . . . . 0.0 110.387 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 72.7 p -61.49 -26.82 68.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.048 -1.032 . . . . 0.0 110.027 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.4 p -128.75 53.87 1.82 Allowed 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.47 -0.769 . . . . 0.0 110.011 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.7 p -78.44 -10.84 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.07 -1.019 . . . . 0.0 109.997 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 p -71.94 -46.72 56.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.681 -1.262 . . . . 0.0 109.864 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.69 -35.88 66.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 0.0 109.411 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.0 tp -64.3 -35.86 82.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.756 -1.215 . . . . 0.0 108.415 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -66.5 -45.07 80.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 109.012 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -65.01 -42.12 94.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.17 -49.56 77.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.18 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.434 HG22 ' OE2' ' A' ' 51' ' ' GLU . 69.1 mt -55.19 -53.35 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.161 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.02 69.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.503 -0.748 . . . . 0.0 110.418 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -58.17 -28.24 64.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.987 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -78.94 -31.69 45.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.948 -1.095 . . . . 0.0 109.994 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' OE2' HG22 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -62.42 -32.88 73.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.957 -1.089 . . . . 0.0 109.105 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.99 -32.2 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.121 -0.987 . . . . 0.0 109.609 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -80.74 -36.67 31.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.965 -1.084 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -92.94 16.3 12.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.27 -0.894 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.34 65.62 2.36 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mmt -98.14 144.52 27.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.261 -1.141 . . . . 0.0 109.328 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.9 p -153.57 82.42 1.17 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.2 -0.938 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -160.55 85.35 0.71 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.236 -0.915 . . . . 0.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.545 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 50.15 -174.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -162.67 -22.66 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.188 -0.945 . . . . 0.0 109.747 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 53.59 -150.5 0.37 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.131 -0.981 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.506 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.12 -31.25 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.909 . . . . 0.0 109.547 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -58.6 -33.33 69.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -61.03 -50.47 73.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.165 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.97 -47.09 78.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.518 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -54.7 -18.53 4.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -76.82 -52.32 9.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.009 -1.057 . . . . 0.0 108.692 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.78 -23.86 67.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -55.3 5.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.881 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.86 -30.47 69.0 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.019 -1.051 . . . . 0.0 108.208 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.8 tpt180 -68.01 -49.69 60.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.93 -18.81 2.15 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.771 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.64 -39.05 46.51 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -32.85 71.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.829 -1.169 . . . . 0.0 108.83 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -76.4 -34.98 58.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 109.225 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 13.1 m-20 -76.15 -9.1 58.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.448 -0.782 . . . . 0.0 110.361 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 mt -98.63 -26.1 14.5 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.525 -1.36 . . . . 0.0 110.431 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 mtt -92.14 -6.55 50.56 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.797 -1.189 . . . . 0.0 109.934 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -89.21 10.17 23.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.002 -1.061 . . . . 0.0 110.169 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.3 -45.95 1.24 Allowed Glycine 0 N--CA 1.502 3.056 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.5 mptp? -52.52 117.67 3.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -1.167 . . . . 0.0 108.32 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 30.7 ttt180 -90.03 -39.08 13.16 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.081 -1.012 . . . . 0.0 110.563 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -89.65 135.72 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.059 -1.026 . . . . 0.0 110.762 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.27 145.53 28.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 m -104.55 146.63 28.62 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.315 -0.866 . . . . 0.0 109.984 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.32 135.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.227 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -82.19 116.05 21.56 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -107.54 144.81 34.01 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.51 89.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.789 -1.194 . . . . 0.0 109.636 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 142.72 -50.95 0.69 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.4 149.09 2.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.083 -1.245 . . . . 0.0 109.527 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -79.08 144.03 34.98 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.9 t -143.7 148.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.096 -1.002 . . . . 0.0 109.243 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -103.22 103.24 13.26 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.81 -0.556 . . . . 0.0 110.554 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.46 141.72 28.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.959 -1.088 . . . . 0.0 108.159 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' THR . 82.4 p -97.59 164.71 12.31 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -50.25 -11.6 0.07 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.399 -1.438 . . . . 0.0 110.062 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' THR . 60.7 p -60.69 -26.92 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.057 -1.027 . . . . 0.0 110.044 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.422 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 53.1 p -128.3 54.0 1.77 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.377 -0.827 . . . . 0.0 109.804 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -80.14 -11.33 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.103 -0.998 . . . . 0.0 110.207 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.7 p -72.65 -45.72 57.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.649 -1.282 . . . . 0.0 109.971 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.6 -35.95 66.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.258 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -63.95 -37.85 88.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.825 -1.172 . . . . 0.0 108.497 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -64.41 -45.51 87.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.927 . . . . 0.0 108.979 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.52 -42.61 98.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.776 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.51 -51.89 67.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 109.188 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mt -55.52 -44.64 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.28 -0.888 . . . . 0.0 109.184 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.32 -42.79 82.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.511 -0.743 . . . . 0.0 110.155 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.53 -29.48 66.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.279 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -80.12 -32.1 39.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.84 -1.163 . . . . 0.0 109.899 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.85 -31.39 70.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.915 -1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.5 -29.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.285 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -79.26 -35.54 41.27 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.062 -1.024 . . . . 0.0 109.882 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -83.15 30.4 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.171 -0.956 . . . . 0.0 109.373 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.94 47.96 0.76 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.1 ttp -165.68 128.98 2.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -1.146 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.2 p -147.58 142.75 27.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.266 -0.896 . . . . 0.0 109.37 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.24 134.6 49.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.152 -0.968 . . . . 0.0 109.49 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -150.99 128.43 11.37 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -150.73 154.18 36.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.226 -0.921 . . . . 0.0 109.251 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 53.51 89.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.292 -0.88 . . . . 0.0 109.468 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mmm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.5 -38.36 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -50.78 -26.76 6.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.364 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.0 -47.62 82.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.335 -0.853 . . . . 0.0 109.673 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -54.71 -19.09 5.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.575 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.39 -50.59 12.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.768 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -23.5 67.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.834 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.18 -55.11 6.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.055 -1.028 . . . . 0.0 109.689 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -62.21 -30.36 71.03 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.105 -0.997 . . . . 0.0 108.613 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.82 -50.3 51.28 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.38 -18.54 2.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 108.474 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.76 -37.73 48.43 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.524 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.08 74.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.745 -1.222 . . . . 0.0 109.031 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -76.85 -33.92 57.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.954 -1.092 . . . . 0.0 109.6 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 3.1 m-20 -76.39 -13.03 60.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.59 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 mt -96.21 -25.54 15.78 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.921 -1.112 . . . . 0.0 110.61 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 mtt -91.57 -6.49 52.3 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.175 . . . . 0.0 109.738 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -89.19 -5.44 57.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.883 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.83 -49.32 0.92 Allowed Glycine 0 N--CA 1.502 3.07 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -53.73 110.5 0.59 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.997 -1.296 . . . . 0.0 109.13 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 19.3 ttm-85 -80.32 -45.08 18.45 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.436 -0.79 . . . . 0.0 110.404 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 23' ' ' VAL . 11.9 p -79.64 133.85 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.021 -1.05 . . . . 0.0 109.891 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.68 153.35 48.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.427 -0.796 . . . . 0.0 109.471 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -103.91 147.14 27.68 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.353 -0.842 . . . . 0.0 109.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -144.33 129.95 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.032 -1.043 . . . . 0.0 110.391 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -83.53 119.24 24.45 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -142.17 125.48 16.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.114 -0.992 . . . . 0.0 109.994 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 50.16 53.9 12.04 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.379 -1.451 . . . . 0.0 109.546 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.36 33.97 6.12 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -147.37 135.72 21.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -1.137 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -90.08 145.57 24.97 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.516 0.674 . . . . 0.0 111.107 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -144.03 145.5 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -112.43 102.54 10.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.889 -0.507 . . . . 0.0 111.097 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.55 142.09 27.84 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.2 p -103.52 162.84 12.71 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.73 -11.78 0.65 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.352 -1.467 . . . . 0.0 110.303 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 p -57.11 -28.23 62.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.3 p -129.96 54.84 1.82 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.352 -0.842 . . . . 0.0 109.894 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.75 -11.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.117 -0.99 . . . . 0.0 109.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 p -72.66 -46.23 54.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.67 -1.268 . . . . 0.0 109.931 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 16.6 p30 -55.59 -29.4 59.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 109.294 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -69.59 -39.85 77.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.814 -1.179 . . . . 0.0 108.675 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -62.22 -46.46 88.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -64.79 -40.97 96.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.04 -49.07 79.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 0.0 109.653 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 59.3 mt -55.84 -53.01 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.42 66.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.419 -0.801 . . . . 0.0 110.598 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 41.0 mm-40 -57.45 -30.7 65.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.012 -1.055 . . . . 0.0 109.729 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.01 -31.68 64.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.948 -1.095 . . . . 0.0 109.469 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -62.4 -32.27 73.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.055 -1.028 . . . . 0.0 108.996 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.93 -33.46 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.168 -0.957 . . . . 0.0 109.611 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 49' ' ' GLU . 1.9 mp0 -81.25 -39.91 24.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.992 -1.067 . . . . 0.0 109.509 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 56' ' ' MET . 2.7 m -96.77 18.71 13.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.116 -0.99 . . . . 0.0 109.272 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -55.63 -10.41 3.18 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 56' ' ' MET . 2.2 mpt? -74.92 162.42 28.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.225 -1.162 . . . . 0.0 109.457 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.48 69.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.406 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.651 ' NE2' ' H ' ' A' ' 58' ' ' GLN . 3.8 mp0 -58.05 131.86 51.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.233 -0.917 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 61' ' ' ARG . 69.5 ttt180 -171.1 -17.02 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.406 -0.809 . . . . 0.0 109.449 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -70.34 9.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.348 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.565 HH11 ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -161.98 -74.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.385 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.569 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.3 t -60.62 -32.99 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.875 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.587 ' CG ' HH11 ' A' ' 3' ' ' ARG . 4.0 mtt-85 -53.52 -21.04 5.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.927 . . . . 0.0 109.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -65.51 -50.21 66.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.21 -0.931 . . . . 0.0 109.387 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.65 -46.85 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 0.0 109.685 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.93 -19.24 6.25 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.15 -0.969 . . . . 0.0 109.434 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -77.13 -51.7 10.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.838 -1.164 . . . . 0.0 108.802 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.25 67.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 110.156 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.43 -55.55 5.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.974 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.05 -29.73 68.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.923 -1.11 . . . . 0.0 108.152 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG2' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.02 -49.59 56.33 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.63 -19.23 2.21 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.121 -0.987 . . . . 0.0 108.603 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.49 -40.91 48.86 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -30.62 64.79 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.604 -1.239 . . . . 0.0 108.464 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.78 -33.93 52.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.153 -0.967 . . . . 0.0 109.405 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 8.1 m-20 -75.68 -13.72 60.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 110.25 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.32 -23.88 15.92 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.128 -0.982 . . . . 0.0 110.226 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -8.58 46.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.95 -1.094 . . . . 0.0 109.152 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 p -90.67 -6.72 54.17 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.06 -1.025 . . . . 0.0 110.13 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.32 -48.37 0.97 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -49.66 113.49 0.85 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.945 -1.327 . . . . 0.0 108.506 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 33.4 ttt180 -84.07 -41.03 17.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 110.409 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.7 p -88.02 134.58 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.029 . . . . 0.0 110.456 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.75 143.09 28.43 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -104.27 146.7 28.42 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.278 -0.889 . . . . 0.0 110.074 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.25 134.93 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.88 . . . . 0.0 109.084 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -82.65 117.09 22.35 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' GLY . 45.8 tttm -106.57 145.25 32.12 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.28 87.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.814 -1.179 . . . . 0.0 109.426 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 144.25 -49.05 0.71 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -170.86 147.38 2.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -1.22 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -79.56 144.62 33.73 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.63 147.69 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.054 -1.029 . . . . 0.0 109.233 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.18 104.19 14.07 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.766 -0.584 . . . . 0.0 110.589 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -94.37 142.2 27.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.995 -1.066 . . . . 0.0 108.195 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 38' ' ' THR . 72.0 p -99.69 164.92 11.84 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.75 -12.02 0.27 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.37 -1.456 . . . . 0.0 110.182 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 36' ' ' THR . 56.9 p -59.2 -28.64 66.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.113 -0.992 . . . . 0.0 110.058 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 25.8 p -129.93 54.84 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.427 -0.795 . . . . 0.0 109.814 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.4 p -76.09 -11.39 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.145 -0.972 . . . . 0.0 109.926 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 p -72.49 -43.16 64.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.766 -1.209 . . . . 0.0 109.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 9.5 p30 -56.12 -32.79 64.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.085 -1.009 . . . . 0.0 109.167 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.5 tp -67.79 -36.72 80.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.845 -1.16 . . . . 0.0 108.241 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.34 -47.19 80.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.867 . . . . 0.0 109.021 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -63.55 -41.78 98.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.314 -0.866 . . . . 0.0 110.128 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.72 -51.95 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 0.0 109.476 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.24 -45.23 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.43 77.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.53 -0.731 . . . . 0.0 110.468 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.41 -33.24 69.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.128 -0.982 . . . . 0.0 109.789 -179.184 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.22 -31.32 62.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.113 . . . . 0.0 109.909 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -63.13 -32.27 73.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.1 . . . . 0.0 109.339 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.94 -31.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.422 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -80.57 -36.51 32.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.051 -1.03 . . . . 0.0 109.436 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -98.13 18.0 17.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.374 -0.829 . . . . 0.0 109.17 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 56' ' ' MET . . . -70.92 -117.38 0.04 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.6 OUTLIER 56.75 140.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.749 0.785 . . . . 0.0 110.249 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 p -89.65 -91.82 0.13 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.953 -1.092 . . . . 0.0 109.54 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -89.74 -153.97 0.3 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.251 -0.905 . . . . 0.0 109.187 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.552 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -145.39 -176.1 4.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.016 -1.052 . . . . 0.0 109.507 -179.385 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -159.75 45.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.349 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 49.16 55.23 9.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.604 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -56.59 -43.28 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 109.47 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -54.57 -37.46 65.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.52 -43.91 96.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.913 . . . . 0.0 109.379 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.14 -48.5 57.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.329 -0.857 . . . . 0.0 109.884 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -56.96 -19.23 16.99 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.089 -1.007 . . . . 0.0 109.904 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 7' ' ' LEU . 3.5 tt -78.02 -49.98 12.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.806 -1.184 . . . . 0.0 108.898 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.31 24.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.82 6.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.41 -30.03 66.54 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 7.5 tpt180 -67.48 -49.76 62.1 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.04 -18.58 2.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 0.0 108.574 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.9 -39.16 43.94 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.69 68.26 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.478 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -76.19 -32.64 59.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.127 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 9.4 m-20 -76.8 -24.42 52.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.773 . . . . 0.0 110.618 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.49 -24.83 31.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.866 -1.146 . . . . 0.0 110.578 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.79 -6.95 47.82 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.734 -1.229 . . . . 0.0 110.256 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -89.03 27.78 1.3 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.772 -1.205 . . . . 0.0 110.033 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.19 -34.66 3.22 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -70.2 110.05 4.99 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -89.75 -33.83 16.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.925 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.71 134.46 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.627 -1.296 . . . . 0.0 110.189 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -151.54 151.99 32.32 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.417 -0.802 . . . . 0.0 109.581 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -115.55 151.89 34.05 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.557 -0.714 . . . . 0.0 109.245 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.0 p -143.94 125.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.101 -1.0 . . . . 0.0 109.456 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -85.81 115.2 23.31 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 79.2 tttt -107.38 145.37 33.0 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -54.07 86.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.812 -1.18 . . . . 0.0 109.477 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 147.95 -48.71 0.62 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HD3' ' H ' ' A' ' 32' ' ' ARG . 3.9 tpp180 -170.98 146.05 2.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.145 -1.209 . . . . 0.0 110.125 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -84.58 147.3 27.07 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.59 144.75 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.966 -1.084 . . . . 0.0 109.475 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.3 tm-20 -99.85 121.85 41.92 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.779 -0.576 . . . . 0.0 110.948 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.29 144.19 43.65 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -108.67 169.14 8.85 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.54 -11.75 3.3 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.668 -1.27 . . . . 0.0 109.761 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.6 p -63.73 -21.57 66.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.1 p -129.52 54.2 1.85 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.52 -0.737 . . . . 0.0 109.847 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.4 p -82.32 -12.37 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.058 -1.027 . . . . 0.0 110.463 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.6 p -73.67 -49.87 23.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.596 -1.315 . . . . 0.0 109.809 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.37 -32.15 62.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.23 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.9 tp -66.58 -37.29 84.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.737 -1.227 . . . . 0.0 108.331 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -65.81 -47.18 75.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 0.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -62.42 -42.62 99.58 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.226 -0.921 . . . . 0.0 109.891 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.48 -51.91 67.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.331 -0.856 . . . . 0.0 109.167 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mt -55.95 -47.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.203 -0.935 . . . . 0.0 109.182 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.39 72.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.48 -0.763 . . . . 0.0 110.064 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.22 -27.51 68.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.113 -0.992 . . . . 0.0 109.935 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -79.78 -30.2 40.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.996 -1.065 . . . . 0.0 109.854 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -66.7 -31.93 72.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.063 -1.023 . . . . 0.0 109.627 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.92 -29.18 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.127 -0.983 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -79.34 -35.75 40.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.078 -1.013 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -81.67 30.06 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 109.609 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -99.19 33.57 6.06 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 56' ' ' MET . 4.6 mpp? -59.6 163.04 4.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -1.218 . . . . 0.0 109.211 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -148.48 -8.92 0.37 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' OE1' ' NE ' ' A' ' 60' ' ' ARG . 11.1 tt0 -155.49 -38.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 109.381 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.568 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 58.09 41.52 23.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.4 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' NE ' ' OE1' ' A' ' 58' ' ' GLN . 42.8 ttm180 -62.8 84.62 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -0.917 . . . . 0.0 109.486 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ARG . 27.6 mmt180 -132.91 112.3 11.77 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.448 -0.783 . . . . 0.0 109.208 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 CA-C-O 117.932 -1.482 . . . . 0.0 109.441 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' ' 1' ' ' MET . 1.6 tmt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -8.35 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 108.938 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.4 -35.84 68.49 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.399 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.2 -50.69 72.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.235 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -65.32 -47.07 77.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.71 -19.03 5.39 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.205 -0.935 . . . . 0.0 109.248 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -76.41 -51.6 11.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.006 -1.059 . . . . 0.0 108.639 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -24.29 67.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.66 -55.44 5.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.51 -30.44 67.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.9 tpt180 -67.55 -49.2 64.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.87 -18.67 2.04 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.035 0.921 . . . . 0.0 108.758 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.02 -40.24 47.25 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -31.71 69.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.852 -1.155 . . . . 0.0 108.896 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -76.53 -30.97 57.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.02 -1.05 . . . . 0.0 109.185 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 22.4 m-20 -76.2 -12.71 60.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.413 -0.804 . . . . 0.0 110.334 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.54 -26.99 14.61 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.111 -0.993 . . . . 0.0 110.968 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 mtt -92.33 -6.16 50.79 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.876 -1.14 . . . . 0.0 109.633 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -89.1 -5.86 57.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.011 -1.056 . . . . 0.0 109.955 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.36 -48.67 0.96 Allowed Glycine 0 N--CA 1.502 3.059 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.47 120.01 6.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.973 -1.31 . . . . 0.0 108.974 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 16.5 ttm180 -89.11 -38.44 14.34 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.417 -0.802 . . . . 0.0 110.936 -178.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 p -81.6 138.13 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.054 -1.029 . . . . 0.0 110.547 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.7 151.97 35.83 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.424 -0.797 . . . . 0.0 109.271 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -122.5 152.72 40.04 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.417 -0.802 . . . . 0.0 109.791 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.2 p -146.28 126.48 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.06 115.35 22.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 33.4 ttmt -105.89 145.14 31.65 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -54.63 85.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.941 -1.099 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 146.84 -46.59 0.73 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HD2' ' H ' ' A' ' 32' ' ' ARG . 19.3 tpt180 -170.9 143.62 2.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -1.231 . . . . 0.0 110.176 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 31' ' ' ARG . 15.4 ptt180 -81.98 146.71 29.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -137.74 140.6 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.171 -0.955 . . . . 0.0 109.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -112.43 125.01 53.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.902 -0.499 . . . . 0.0 110.374 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -127.15 147.89 50.18 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.49 -0.756 . . . . 0.0 109.795 178.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' THR . 70.5 p -96.94 163.0 13.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.558 -1.339 . . . . 0.0 108.107 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -48.25 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.411 -1.431 . . . . 0.0 110.083 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' THR . 58.9 p -60.38 -21.85 62.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.102 -0.999 . . . . 0.0 109.69 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 m -129.1 54.54 1.8 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.534 -0.729 . . . . 0.0 109.59 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.7 p -82.7 -11.62 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.054 -1.029 . . . . 0.0 110.46 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -73.34 -48.47 34.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.646 -1.283 . . . . 0.0 109.964 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' SER . 1.3 p-10 -55.24 -32.25 62.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 109.36 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 43' ' ' LEU . 16.0 tp -67.62 -38.02 83.33 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 108.544 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -64.69 -46.38 82.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 109.252 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.238 -0.913 . . . . 0.0 110.069 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.64 -51.97 67.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.93 -44.06 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.251 -0.906 . . . . 0.0 109.175 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.56 89.14 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.951 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.71 -27.69 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 110.152 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.8 mt -77.41 -33.23 55.04 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.975 -1.078 . . . . 0.0 110.048 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.37 -31.92 73.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.849 -1.157 . . . . 0.0 108.763 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.42 -28.72 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.339 -0.851 . . . . 0.0 109.069 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -78.99 -30.74 44.51 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 121.252 -0.905 . . . . 0.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.02 24.11 0.79 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.143 -0.973 . . . . 0.0 108.869 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.65 57.27 0.05 OUTLIER Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.6 ttm -78.27 -39.94 38.52 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.17 -1.194 . . . . 0.0 109.668 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.0 p -138.98 -48.93 0.5 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.248 -0.907 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -172.24 -167.07 0.44 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.216 -0.927 . . . . 0.0 109.53 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -170.22 175.66 4.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.258 -0.901 . . . . 0.0 109.61 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -168.87 -49.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -60.36 119.05 7.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 109.356 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.59 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mmm . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.304 0.574 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.4 t -147.43 -43.81 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.255 -0.903 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.62 -36.36 24.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.256 -0.903 . . . . 0.0 109.266 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -33.52 34.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.569 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.81 -49.24 21.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.876 . . . . 0.0 110.108 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.04 -19.6 32.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.018 -1.051 . . . . 0.0 109.693 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.67 -48.89 15.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.942 -1.098 . . . . 0.0 108.917 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.52 -25.31 24.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.807 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.87 -56.26 4.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 109.937 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.83 -30.12 65.5 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.57 -49.33 66.76 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.67 -19.09 2.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.259 -0.901 . . . . 0.0 108.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.95 -38.79 44.48 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.03 69.14 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 118.764 -1.175 . . . . 0.0 108.785 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -76.94 -32.45 57.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.026 -1.047 . . . . 0.0 109.225 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 47.1 m-20 -76.25 -16.48 59.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 0.0 110.422 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -94.84 -23.62 17.4 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.005 -1.059 . . . . 0.0 110.317 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -8.14 48.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.03 -1.044 . . . . 0.0 109.562 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.83 -5.13 57.18 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.967 -1.083 . . . . 0.0 110.011 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.21 -49.27 0.9 Allowed Glycine 0 N--CA 1.502 3.092 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -52.27 115.51 1.77 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.437 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 20.8 ttm180 -86.49 -39.62 16.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.339 -0.85 . . . . 0.0 110.954 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -79.42 134.04 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.919 -1.113 . . . . 0.0 110.577 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -148.85 152.56 36.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.454 -0.779 . . . . 0.0 109.31 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -117.79 152.66 34.86 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.576 -0.703 . . . . 0.0 109.538 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.2 p -145.46 125.66 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.191 -0.943 . . . . 0.0 109.458 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -84.68 115.74 22.83 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 46.1 tttm -107.06 145.37 32.46 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.49 85.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.882 -1.136 . . . . 0.0 109.367 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 147.8 -48.42 0.64 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -170.84 146.03 2.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.211 -1.17 . . . . 0.0 110.212 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -83.89 146.93 27.8 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -140.98 145.33 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.034 -1.041 . . . . 0.0 109.406 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.5 tm-20 -99.67 124.69 45.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.869 -0.519 . . . . 0.0 110.856 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.58 144.58 45.01 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.4 p -109.59 161.96 14.87 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.61 -11.75 0.62 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.194 -1.566 . . . . 0.0 110.299 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -62.08 -24.49 67.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.973 . . . . 0.0 109.784 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.46 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 97.9 p -129.1 54.74 1.78 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.468 -0.77 . . . . 0.0 109.814 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -81.72 -10.89 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 p -72.42 -47.62 47.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.661 -1.275 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 21.4 p-10 -55.39 -34.87 64.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.8 tp -65.27 -36.06 82.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.68 -1.262 . . . . 0.0 108.536 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.51 -44.08 83.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 109.223 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -66.89 -40.61 87.8 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.131 -0.981 . . . . 0.0 109.913 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.52 -52.07 67.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 109.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -53.52 -46.65 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.088 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -41.88 71.38 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -58.6 -29.33 66.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.164 -0.96 . . . . 0.0 110.236 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -79.81 -30.75 40.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.904 -1.123 . . . . 0.0 109.979 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.04 -31.26 72.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.99 -30.53 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.102 -0.999 . . . . 0.0 109.509 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -80.52 -37.44 31.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.978 -1.076 . . . . 0.0 109.655 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -92.15 16.86 10.49 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 109.321 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.59 121.84 1.08 Allowed Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.1 ttm -161.47 116.68 2.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.167 -1.196 . . . . 0.0 109.419 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.9 m -164.42 -26.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.418 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -80.5 -177.01 6.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.269 -0.894 . . . . 0.0 109.41 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -170.08 9.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.306 -0.872 . . . . 0.0 109.647 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 62' ' ' GLY . 23.6 mmt180 -66.01 -162.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.951 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 68.74 -36.39 0.32 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.544 -0.723 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.002 -1.444 . . . . 0.0 109.535 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.7 t -51.74 -51.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.24 -0.912 . . . . 0.0 109.246 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -50.31 -34.99 25.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.17 -0.957 . . . . 0.0 109.076 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -41.65 83.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.351 -0.843 . . . . 0.0 108.975 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.59 -48.62 25.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.95 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.76 -19.81 43.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 109.666 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.67 -46.45 21.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.881 -1.137 . . . . 0.0 108.937 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.64 66.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.508 -0.745 . . . . 0.0 110.038 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.29 4.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 110.105 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.85 -29.16 66.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.35 -49.74 52.74 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.38 -19.19 3.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.078 -1.014 . . . . 0.0 109.143 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.24 -37.63 32.65 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -65.13 -27.33 68.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.896 -1.127 . . . . 0.0 109.042 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -76.82 -31.83 57.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.171 -0.955 . . . . 0.0 108.614 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -75.48 -34.54 60.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.549 -0.719 . . . . 0.0 110.172 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -75.17 -23.83 57.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.169 -0.957 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -10.36 49.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.845 -1.16 . . . . 0.0 109.399 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.55 -5.92 50.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.98 -1.075 . . . . 0.0 109.78 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.33 -42.7 1.47 Allowed Glycine 0 N--CA 1.502 3.05 0 N-CA-C 110.349 -1.101 . . . . 0.0 110.349 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.7 mptp? -49.67 103.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.998 -1.295 . . . . 0.0 109.053 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -76.32 -46.27 28.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 23' ' ' VAL . 7.3 p -82.99 133.4 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.186 -0.946 . . . . 0.0 110.266 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.56 33.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.344 -0.848 . . . . 0.0 109.031 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.2 m -111.23 154.39 24.5 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.433 -0.792 . . . . 0.0 110.065 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.1 p -145.57 125.48 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.224 -0.922 . . . . 0.0 109.364 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -86.0 116.38 24.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.508 -0.745 . . . . 0.0 109.013 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' GLY . 51.2 tttm -108.01 145.13 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -55.01 85.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.821 -1.174 . . . . 0.0 109.405 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 148.21 -47.72 0.65 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HD3' ' H ' ' A' ' 32' ' ' ARG . 4.3 tpp180 -171.02 145.69 2.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.19 -1.182 . . . . 0.0 110.078 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' H ' ' HD3' ' A' ' 31' ' ' ARG . 8.2 ptp180 -83.96 146.34 28.06 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.71 145.33 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 120.972 -1.08 . . . . 0.0 109.116 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' CG2' ' A' ' 23' ' ' VAL . 13.6 tt0 -103.57 122.47 45.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.753 -0.592 . . . . 0.0 110.959 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -113.9 144.23 43.39 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 64.8 p -105.11 164.19 12.0 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.53 -11.54 0.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.307 -1.496 . . . . 0.0 110.06 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 78.6 p -63.99 -22.19 66.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.046 . . . . 0.0 110.072 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 53.1 p -128.82 53.79 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.361 -0.837 . . . . 0.0 110.14 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -82.42 -11.7 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.092 -1.005 . . . . 0.0 110.252 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -73.57 -50.08 23.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.666 -1.271 . . . . 0.0 109.968 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.05 -31.3 61.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.308 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.9 tp -69.05 -35.14 76.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.746 -1.221 . . . . 0.0 108.349 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -66.27 -47.28 74.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 108.865 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.229 -0.919 . . . . 0.0 109.802 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.42 -52.1 67.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.21 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.5 mt -54.5 -51.71 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 109.025 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.43 61.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.601 -0.687 . . . . 0.0 110.328 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.54 -27.1 68.74 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.176 -0.953 . . . . 0.0 110.029 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -83.64 -32.64 25.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.98 -1.075 . . . . 0.0 109.983 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -65.2 -30.86 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.927 -1.108 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.0 t -83.58 -29.51 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.973 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -79.1 -35.75 41.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 0.0 109.64 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -88.85 30.52 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.14 -0.975 . . . . 0.0 109.506 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.72 86.41 0.07 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 58' ' ' GLN . 55.4 mtt -95.68 132.58 40.72 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.319 -1.107 . . . . 0.0 109.456 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 m 58.73 1.91 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.305 -0.872 . . . . 0.0 109.585 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 56' ' ' MET . 39.4 tt0 -65.13 117.96 8.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.957 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -45.75 41.2 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.176 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.84 -149.99 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.4 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.555 HH11 ' CG ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -141.63 49.06 1.61 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.286 -0.884 . . . . 0.0 109.093 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.653 -179.813 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.8 t -147.93 -38.35 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.201 -0.937 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -57.6 -30.04 64.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.1 -38.04 89.63 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.402 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.8 -48.82 28.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.317 -0.864 . . . . 0.0 109.782 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.47 -19.5 15.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.121 -0.987 . . . . 0.0 109.559 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.4 tt -77.92 -49.46 14.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.996 -1.065 . . . . 0.0 109.034 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.34 37.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.15 5.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.169 -0.957 . . . . 0.0 109.622 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.51 -30.2 69.58 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.21 -50.6 45.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.46 -18.22 2.55 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.131 -0.981 . . . . 0.0 108.739 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.74 -36.88 36.66 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.575 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -32.83 73.37 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.797 -1.189 . . . . 0.0 109.051 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -76.24 -34.17 59.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 109.491 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 1.7 m-20 -76.53 -14.81 59.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.71 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -93.69 -24.94 17.67 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.826 -1.171 . . . . 0.0 110.542 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mtt -91.11 -6.53 53.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.73 -1.231 . . . . 0.0 109.749 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -89.37 -5.32 57.57 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.921 -1.112 . . . . 0.0 109.749 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.06 -49.7 0.91 Allowed Glycine 0 N--CA 1.503 3.139 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -53.39 108.85 0.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.288 . . . . 0.0 108.977 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 21.1 ttm180 -78.48 -46.09 20.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.445 -0.784 . . . . 0.0 110.479 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.93 133.68 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.017 -1.052 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.15 153.32 43.98 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -103.52 149.14 25.14 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.29 -0.881 . . . . 0.0 109.469 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.61 123.87 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.139 -0.976 . . . . 0.0 109.401 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -86.92 116.02 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 30' ' ' GLY . 82.7 tttt -110.83 145.11 38.78 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.57 84.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.881 -1.137 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 150.51 -46.66 0.62 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.569 ' NH1' ' CZ ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -171.25 147.99 2.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.043 -1.269 . . . . 0.0 109.649 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' CZ ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 146.72 31.85 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.657 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -142.22 146.38 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 120.956 -1.09 . . . . 0.0 109.452 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -110.55 104.79 13.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.891 -0.506 . . . . 0.0 111.049 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -94.02 141.65 28.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.978 -1.076 . . . . 0.0 108.119 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -99.55 162.96 12.71 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.39 -12.12 0.63 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.205 -1.559 . . . . 0.0 110.376 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.2 p -57.75 -26.62 62.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.128 -0.982 . . . . 0.0 109.933 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 31.1 p -129.61 54.13 1.86 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.392 -0.817 . . . . 0.0 109.943 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.8 p -79.06 -11.41 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.041 -1.037 . . . . 0.0 110.1 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -72.91 -46.29 53.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.693 -1.254 . . . . 0.0 109.836 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.16 -35.21 64.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.099 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 13.8 tp -64.62 -38.7 91.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.907 -1.121 . . . . 0.0 108.818 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -64.41 -43.8 93.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.147 -0.971 . . . . 0.0 109.107 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 42' ' ' ASP . 7.6 ttpm? -64.94 -42.29 94.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.241 -0.912 . . . . 0.0 109.661 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.17 -51.82 67.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 0.0 109.21 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.09 -51.56 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.192 -0.942 . . . . 0.0 109.279 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.08 62.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.562 -0.711 . . . . 0.0 110.152 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -28.73 65.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.111 -0.993 . . . . 0.0 110.025 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.6 mt -80.53 -31.39 37.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.976 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.89 -30.27 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.964 -1.085 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.38 -29.36 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 0.0 109.159 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -70.43 -31.23 68.33 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.505 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 17.73 3.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 108.964 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.14 83.57 0.09 OUTLIER Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 56' ' ' MET . 2.0 mpt? -64.95 90.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -1.155 . . . . 0.0 109.516 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 p -83.26 29.88 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.376 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 59' ' ' ARG . 51.3 tt0 -165.51 112.97 0.96 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.949 . . . . 0.0 109.583 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 58' ' ' GLN . 46.7 ttt180 61.44 136.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.0 109.647 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -165.5 146.33 7.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.203 -0.936 . . . . 0.0 109.403 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.29 -119.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.448 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 t -146.79 -17.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' NH2' ' CD2' ' A' ' 50' ' ' LEU . 50.5 mtp180 -60.51 -19.46 57.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -56.31 -45.61 80.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.879 . . . . 0.0 109.487 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.28 -44.25 72.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.521 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.07 -19.39 43.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.092 -1.005 . . . . 0.0 109.673 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 7' ' ' LEU . 2.2 tt -78.14 -49.65 13.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.853 -1.154 . . . . 0.0 109.013 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.61 50.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.86 . . . . 0.0 109.773 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.81 -55.49 5.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.74 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.79 -29.48 66.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.6 tpt180 -68.99 -49.92 53.54 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -18.57 2.05 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.067 0.937 . . . . 0.0 108.633 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.5 -42.15 36.76 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -28.0 61.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.668 -1.213 . . . . 0.0 108.378 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.238 -0.914 . . . . 0.0 109.292 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.25 -30.32 57.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 110.401 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.33 -23.69 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 110.087 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -12.67 30.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.955 -1.091 . . . . 0.0 109.716 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.69 -5.34 55.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.881 -1.137 . . . . 0.0 110.168 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.34 -50.2 0.89 Allowed Glycine 0 N--CA 1.502 3.091 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -51.84 102.03 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.943 -1.328 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -77.84 -42.41 33.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 110.827 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 p -82.39 133.87 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.886 -1.134 . . . . 0.0 110.043 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.41 37.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.362 -0.836 . . . . 0.0 109.081 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 m -105.43 139.28 40.29 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.419 -0.801 . . . . 0.0 109.969 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.2 131.23 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.971 . . . . 0.0 109.056 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 10.5 pt20 -82.47 118.37 23.18 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' A' ' 30' ' ' GLY . 49.4 tttm -107.82 145.58 33.42 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -47.5 90.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.856 -1.152 . . . . 0.0 109.558 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 144.96 -54.51 0.56 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.33 151.87 2.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.816 -1.403 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.55 142.34 51.79 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -144.77 148.29 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -106.85 103.06 12.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.834 -0.541 . . . . 0.0 110.613 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.95 141.79 28.12 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.8 p -100.87 171.52 7.61 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.21 -11.7 0.8 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.739 -1.225 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 70.2 p -63.66 -25.84 68.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.258 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.1 p -127.95 53.81 1.76 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.921 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.1 p -79.82 -11.25 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 110.122 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.0 p -72.48 -46.7 53.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.75 -1.219 . . . . 0.0 109.841 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.79 -36.65 67.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.173 -0.954 . . . . 0.0 109.342 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.0 tp -63.44 -36.79 84.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.886 -1.134 . . . . 0.0 108.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -66.31 -44.65 82.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.213 -0.929 . . . . 0.0 109.022 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.83 -42.72 97.57 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.114 -0.991 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -58.64 -51.35 70.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 59.3 mt -55.0 -53.59 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 109.823 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.75 63.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 110.733 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.37 -29.58 66.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.078 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD2' ' NH2' ' A' ' 3' ' ' ARG . 49.6 mt -74.69 -30.25 61.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.892 -1.13 . . . . 0.0 109.836 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -69.42 -32.42 71.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.55 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.95 -28.5 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 109.645 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -78.63 -35.09 45.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.967 . . . . 0.0 109.857 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -81.34 13.65 2.83 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.18 -0.95 . . . . 0.0 109.227 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' A' ' 56' ' ' MET . . . 60.11 119.79 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tpp -150.64 119.38 6.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.129 -1.218 . . . . 0.0 109.007 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.1 p -97.06 -129.59 0.17 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 109.202 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -171.13 -15.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.179 -0.951 . . . . 0.0 109.455 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.565 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 55.87 54.65 7.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.531 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -72.53 151.05 42.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 0.0 109.4 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.706 ' H ' ' NE ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -92.42 -50.11 5.8 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.295 -0.878 . . . . 0.0 109.121 179.745 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.021 -1.433 . . . . 0.0 109.582 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 t -59.23 -17.18 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.229 -0.92 . . . . 0.0 109.474 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.59 -32.69 74.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.896 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -58.8 -50.68 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 109.254 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -68.02 -46.05 72.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.352 -0.843 . . . . 0.0 109.609 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.08 -18.97 16.65 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.252 -0.905 . . . . 0.0 109.593 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 7' ' ' LEU . 2.7 tt -77.75 -50.4 12.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 108.799 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.31 57.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 -55.01 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.14 -29.83 63.93 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.7 tpt180 -69.8 -50.42 43.23 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -18.13 2.86 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.182 -0.949 . . . . 0.0 108.821 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -78.88 -37.69 39.55 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -31.93 72.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.832 -1.168 . . . . 0.0 108.962 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -76.08 -32.1 59.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.026 -1.046 . . . . 0.0 109.378 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.25 -32.42 58.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.33 -0.856 . . . . 0.0 110.223 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.54 -25.6 57.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.965 -1.084 . . . . 0.0 110.915 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.1 mtt -91.08 -8.58 48.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.598 -1.314 . . . . 0.0 109.575 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.29 -6.06 51.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.045 -1.035 . . . . 0.0 109.702 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 129.96 -47.74 1.0 Allowed Glycine 0 N--CA 1.502 3.068 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.7 mptt -48.98 97.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.945 -1.327 . . . . 0.0 109.172 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' GLY . 30.1 ttm180 -69.76 -49.13 56.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.086 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.98 133.63 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.032 -1.042 . . . . 0.0 109.856 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.37 148.86 41.93 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -103.47 142.44 34.25 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.295 -0.878 . . . . 0.0 109.857 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.6 143.17 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.62 ' CD ' ' H ' ' A' ' 27' ' ' GLN . 2.5 mp0 -84.34 98.88 10.27 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -98.21 112.01 24.14 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.321 -0.862 . . . . 0.0 108.722 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.52 26.1 13.9 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.413 -1.429 . . . . 0.0 109.111 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.3 -17.0 50.61 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -88.11 138.99 30.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.102 -1.234 . . . . 0.0 109.269 -179.754 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 97.0 mtt180 -89.87 131.44 35.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.587 -0.695 . . . . 0.0 109.778 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.39 146.92 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.176 -0.952 . . . . 0.0 108.911 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 18.3 mp0 -110.53 102.51 11.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.864 -0.523 . . . . 0.0 111.06 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.23 142.69 27.03 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' THR . 73.8 p -99.25 163.57 12.49 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -49.72 -11.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.429 -1.419 . . . . 0.0 110.211 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.2 p -65.58 -27.04 68.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.095 -1.003 . . . . 0.0 109.91 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 92.9 p -121.31 51.64 1.27 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.463 -0.773 . . . . 0.0 109.697 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 40' ' ' VAL . 5.0 p -83.44 -11.77 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.186 -0.946 . . . . 0.0 110.337 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -73.16 -49.14 29.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.615 -1.303 . . . . 0.0 109.755 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.3 p-10 -55.33 -32.54 62.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.0 tp -66.51 -36.36 82.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.705 -1.247 . . . . 0.0 108.497 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -66.46 -44.6 82.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.314 -0.866 . . . . 0.0 109.247 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HZ3' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -65.02 -41.98 94.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.12 -0.988 . . . . 0.0 109.67 -179.671 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.97 -52.0 67.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.862 . . . . 0.0 108.956 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.1 mt -55.91 -45.01 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.34 -0.85 . . . . 0.0 109.161 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.55 69.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 0.0 110.285 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.71 -25.92 65.01 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.18 -0.95 . . . . 0.0 109.986 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -84.01 -31.44 25.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.009 -1.057 . . . . 0.0 110.248 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.89 -31.69 71.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.902 -1.124 . . . . 0.0 109.459 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.96 -29.48 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -79.9 -36.7 36.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 109.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -83.36 14.69 3.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 0.0 109.498 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.99 -26.39 53.31 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.7 ttp -76.81 109.99 11.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.424 -1.045 . . . . 0.0 109.21 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.0 p -151.57 -171.31 3.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.219 -0.926 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -98.98 -142.67 0.32 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -170.4 141.7 2.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.075 -1.016 . . . . 0.0 109.484 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -63.07 124.54 21.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.453 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.576 HH11 ' CG ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -66.8 -169.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.424 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.014 -1.437 . . . . 0.0 109.593 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.302 0.572 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.72 -34.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.482 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -54.71 -20.84 9.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.314 -0.866 . . . . 0.0 109.441 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -66.76 -42.15 86.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.281 -0.887 . . . . 0.0 109.438 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -72.61 -37.1 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.34 -0.85 . . . . 0.0 109.923 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -67.6 -20.36 65.36 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.164 -0.96 . . . . 0.0 109.411 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.75 -49.99 13.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.892 -1.13 . . . . 0.0 108.993 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.38 -24.3 54.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 0.0 109.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.78 -55.24 5.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 109.576 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.4 -28.86 65.6 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.41 -50.2 34.26 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.81 2.17 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.159 0.98 . . . . 0.0 108.492 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.22 -41.94 47.62 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -30.58 64.44 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.557 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -76.99 -32.53 57.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.034 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.39 -25.84 54.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.494 -0.753 . . . . 0.0 110.459 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.2 mt -84.7 -23.36 29.39 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.052 -1.03 . . . . 0.0 110.409 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -8.12 49.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.014 -1.054 . . . . 0.0 109.873 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -90.34 -4.87 56.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.897 -1.127 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.82 -50.16 0.87 Allowed Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.49 110.18 0.48 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.975 -1.309 . . . . 0.0 108.491 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 12.2 ptp180 -83.2 -41.59 18.24 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.332 -0.855 . . . . 0.0 110.932 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.5 p -79.44 134.23 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.973 -1.08 . . . . 0.0 110.112 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.93 43.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.525 -0.735 . . . . 0.0 109.247 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -104.05 151.5 23.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.342 -0.849 . . . . 0.0 109.599 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.0 p -146.65 131.05 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.042 -1.036 . . . . 0.0 110.207 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -83.83 118.79 24.18 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -137.07 121.97 18.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.8 OUTLIER 49.23 52.68 13.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.264 -1.522 . . . . 0.0 109.393 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.88 39.95 26.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -149.48 133.76 17.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.179 -1.189 . . . . 0.0 109.229 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -90.4 145.03 25.26 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.588 0.709 . . . . 0.0 111.217 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.59 145.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -112.2 102.31 10.5 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.821 -0.55 . . . . 0.0 111.029 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.7 145.34 25.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.92 -1.112 . . . . 0.0 108.155 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 p -108.89 172.22 6.97 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -11.88 18.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.711 -1.243 . . . . 0.0 109.811 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 p -57.55 -25.27 59.68 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.195 -0.941 . . . . 0.0 110.21 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 3.9 t -133.46 55.61 1.89 Allowed 'General case' 0 N--CA 1.514 2.76 0 O-C-N 121.269 -0.894 . . . . 0.0 110.123 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.4 p -75.01 -11.31 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.981 -1.074 . . . . 0.0 109.651 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -72.58 -45.81 57.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.837 -1.164 . . . . 0.0 109.898 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.73 -36.07 66.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.0 109.311 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.1 tp -64.84 -35.2 80.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.835 -1.166 . . . . 0.0 108.68 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -66.66 -41.49 88.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.301 -0.874 . . . . 0.0 109.554 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -39.29 74.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.014 -1.054 . . . . 0.0 109.898 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -61.74 -45.12 95.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.198 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 66.1 mt -57.19 -53.88 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.17 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.88 61.9 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.448 -0.783 . . . . 0.0 110.143 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.92 -29.17 66.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 109.901 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.99 -31.29 61.39 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.978 -1.076 . . . . 0.0 109.677 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -66.39 -29.77 70.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.061 -1.024 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -84.51 -28.85 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 109.249 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.81 -32.89 46.49 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.312 -0.867 . . . . 0.0 109.74 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -88.99 22.87 2.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.17 23.03 0.27 Allowed Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.4 tpp -62.9 91.63 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -1.17 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -153.24 -89.9 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.243 -0.911 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -152.81 -175.38 5.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 109.378 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.01 -163.78 0.38 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.29 -0.881 . . . . 0.0 109.691 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' A' ' 60' ' ' ARG . 3.8 mtt-85 -63.5 159.72 17.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.893 . . . . 0.0 109.469 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 52.65 70.38 0.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.288 -0.883 . . . . 0.0 109.498 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 t -69.9 -23.72 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.893 . . . . 0.0 109.559 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.91 -29.03 69.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 109.488 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -69.15 -51.05 42.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.279 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -71.19 -39.6 71.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.618 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.96 -19.19 65.85 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.222 -0.924 . . . . 0.0 109.265 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.33 -48.95 18.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.876 -1.14 . . . . 0.0 108.961 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.16 -23.84 66.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.77 . . . . 0.0 109.627 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.65 5.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 0.0 110.033 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.14 -29.33 67.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.4 tpt180 -68.43 -50.02 55.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.01 -18.45 2.02 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.195 -0.941 . . . . 0.0 108.539 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.83 -41.4 44.36 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.08 64.75 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.495 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -77.08 -32.28 56.6 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.069 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.35 -27.87 56.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.54 -0.725 . . . . 0.0 110.419 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.0 -23.45 33.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.045 -1.034 . . . . 0.0 110.423 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -8.16 46.99 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.954 -1.091 . . . . 0.0 110.09 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.01 -4.9 57.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.753 -1.217 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.19 -50.0 0.88 Allowed Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -53.78 116.76 2.69 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.246 . . . . 0.0 108.181 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.559 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -89.84 -35.06 15.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.126 -0.984 . . . . 0.0 111.311 -178.124 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 23' ' ' VAL . 13.1 p -83.9 134.23 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.664 -1.272 . . . . 0.0 110.02 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.33 152.51 44.48 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.43 -0.794 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -106.52 144.1 33.69 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.373 -0.829 . . . . 0.0 109.7 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.06 133.56 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.954 -1.091 . . . . 0.0 109.568 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.419 HE22 ' HG3' ' A' ' 32' ' ' ARG . 4.1 mm100 -82.93 118.83 23.74 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 46' ' ' TYR . 50.7 tttp -136.24 126.16 25.9 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.273 -0.892 . . . . 0.0 109.821 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.3 t70 50.39 54.7 10.68 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.331 -1.48 . . . . 0.0 109.547 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.27 32.43 5.13 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -147.93 133.06 18.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.187 -1.184 . . . . 0.0 109.249 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG3' HE22 ' A' ' 27' ' ' GLN . 84.7 mtm180 -87.05 145.1 26.6 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.9 t -144.55 148.05 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -116.61 102.6 9.6 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.809 -0.557 . . . . 0.0 111.151 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -94.27 141.66 28.3 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -100.87 171.6 7.56 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.14 -11.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.78 -1.2 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -65.03 -24.08 67.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 109.901 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 60.4 p -125.6 53.3 1.57 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.407 -0.808 . . . . 0.0 109.679 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -83.37 -12.69 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -0.961 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -73.3 -49.81 25.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.563 -1.336 . . . . 0.0 109.698 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.4 p-10 -55.44 -31.61 62.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.7 tp -65.58 -37.55 86.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.71 -1.244 . . . . 0.0 108.224 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -65.06 -46.36 81.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.923 . . . . 0.0 109.365 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -64.15 -41.95 96.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.901 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 28' ' ' LYS . 52.8 t80 -57.94 -52.04 67.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.7 -48.31 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 0.0 109.347 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.43 -44.41 68.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.521 -0.737 . . . . 0.0 110.504 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.17 -29.44 65.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.141 -0.975 . . . . 0.0 110.328 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.58 -32.02 41.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.789 -1.195 . . . . 0.0 109.804 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.19 -30.24 71.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.077 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.3 t -78.84 -29.72 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 0.0 109.304 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -71.85 -36.97 70.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.123 -0.985 . . . . 0.0 109.399 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 56' ' ' MET . 7.2 p -105.2 21.53 16.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.384 -0.823 . . . . 0.0 109.144 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 56' ' ' MET . . . 62.92 -75.86 0.03 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 54' ' ' THR . 4.9 tpp 58.94 158.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -1.103 . . . . 0.0 109.332 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 56' ' ' MET . 69.3 p 47.83 65.14 1.37 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.865 . . . . 0.0 109.635 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -169.76 131.75 1.11 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.441 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -171.11 151.89 3.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.38 -0.825 . . . . 0.0 109.447 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -169.8 53.42 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.368 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.574 HH11 ' CG ' ' A' ' 61' ' ' ARG . 3.5 mtt-85 50.48 71.1 0.44 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.216 -0.928 . . . . 0.0 109.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.561 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.65 -50.11 13.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.947 -1.096 . . . . 0.0 108.976 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.59 46.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.01 5.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 109.585 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.31 -30.02 68.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.48 -50.14 48.17 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.17 -18.76 2.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.189 -0.944 . . . . 0.0 108.482 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.16 -40.79 51.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.38 67.97 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.646 -1.222 . . . . 0.0 108.632 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -77.18 -33.13 56.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.094 -1.004 . . . . 0.0 109.362 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 12.3 m-20 -76.19 -17.59 59.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.454 -0.779 . . . . 0.0 110.453 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -93.23 -23.48 18.52 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.928 -1.108 . . . . 0.0 110.385 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -7.84 51.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.388 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.36 -5.5 56.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.879 -1.138 . . . . 0.0 110.095 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.03 -48.85 0.93 Allowed Glycine 0 N--CA 1.503 3.157 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.45 112.75 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.937 -1.331 . . . . 0.0 108.765 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 15.3 ttm180 -82.35 -42.62 18.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.487 -0.758 . . . . 0.0 110.664 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 134.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.05 -1.031 . . . . 0.0 110.263 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.61 152.71 47.03 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.453 -0.779 . . . . 0.0 109.273 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 m -104.84 149.53 25.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.333 -0.854 . . . . 0.0 109.606 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 26' ' ' VAL . 5.1 p . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.067 -1.021 . . . . 0.0 110.161 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.502 2.164 0 CA-C-O 120.868 0.366 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -95.13 144.51 25.7 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.972 -1.08 . . . . 0.0 108.188 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 38' ' ' THR . 60.9 p -107.94 162.03 14.39 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.21 -11.89 0.21 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.401 -1.437 . . . . 0.0 110.357 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 36' ' ' THR . 69.7 p -60.4 -26.18 66.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.077 -1.014 . . . . 0.0 109.996 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 47.7 p -128.31 53.92 1.78 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.365 -0.834 . . . . 0.0 109.838 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.2 p -79.2 -11.24 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.166 -0.959 . . . . 0.0 110.158 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.3 p -72.36 -46.99 52.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.689 -1.257 . . . . 0.0 109.728 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.69 -36.8 67.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.342 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tp -63.29 -35.93 81.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.811 -1.181 . . . . 0.0 108.75 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -67.0 -40.99 87.44 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.566 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -71.17 -39.26 71.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.059 -1.026 . . . . 0.0 109.842 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -60.01 -51.14 70.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 109.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -52.58 -52.13 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.096 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.39 62.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 110.012 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.5 -26.39 63.4 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 110.072 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.994 -1.066 . . . . 0.0 110.129 -179.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 4.2 mp0 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.42 -50.44 14.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.844 -1.16 . . . . 0.0 108.973 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.35 67.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.373 -0.83 . . . . 0.0 109.567 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.55 -55.06 5.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.63 -28.95 64.15 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.92 -50.11 45.42 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.38 -18.64 2.71 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.102 -0.999 . . . . 0.0 108.514 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.61 -40.06 50.57 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -32.5 70.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.813 -1.179 . . . . 0.0 108.777 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -77.02 -33.52 57.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.405 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 16.7 m-20 -76.16 -13.71 60.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 110.525 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.86 -26.33 16.23 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.974 -1.079 . . . . 0.0 110.618 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 mtt -92.25 -6.26 50.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.721 -1.237 . . . . 0.0 109.749 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -5.84 56.96 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.944 -1.097 . . . . 0.0 109.996 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.23 -50.16 0.9 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -55.36 115.76 2.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.952 -1.323 . . . . 0.0 108.813 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 35.3 ttp180 -83.11 -41.68 18.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.356 -0.84 . . . . 0.0 110.614 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.31 134.17 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.956 -1.09 . . . . 0.0 109.942 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.66 151.84 51.84 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -105.11 141.52 36.51 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.343 -0.848 . . . . 0.0 109.799 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.072 -1.018 . . . . 0.0 109.77 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.84 143.48 26.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.874 -1.141 . . . . 0.0 108.348 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -102.89 162.24 13.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.33 -11.55 0.53 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.348 -1.47 . . . . 0.0 110.518 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.7 p -57.18 -28.59 62.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.033 -1.042 . . . . 0.0 110.16 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.8 p -130.15 54.93 1.83 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.323 -0.861 . . . . 0.0 109.852 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.7 p -76.77 -11.57 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.053 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -72.34 -44.18 63.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.719 -1.238 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 12.6 p30 -55.74 -30.58 61.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 0.0 109.192 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.02 -36.06 74.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.799 -1.188 . . . . 0.0 108.235 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -64.43 -47.66 78.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.287 -0.883 . . . . 0.0 109.146 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.83 -42.37 99.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 110.051 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.0 -51.43 70.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.165 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.86 -50.2 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.272 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.0 63.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.475 -0.765 . . . . 0.0 110.437 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.83 -28.52 66.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.153 -0.967 . . . . 0.0 110.739 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 N--CA 1.497 1.916 0 O-C-N 120.859 -1.15 . . . . 0.0 110.538 -179.376 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.2 tt -77.48 -50.05 13.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.953 -1.092 . . . . 0.0 108.857 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.21 61.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.465 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.77 -54.95 5.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.563 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.03 -30.41 68.0 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.3 tpt180 -68.79 -50.09 53.17 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.22 3.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.154 -0.966 . . . . 0.0 108.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.4 -36.83 38.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -29.37 70.44 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.816 -1.154 . . . . 0.0 108.944 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.9 -32.06 57.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.076 -1.015 . . . . 0.0 109.036 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.77 -34.8 60.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.127 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.26 -23.53 57.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.656 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -8.81 50.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.875 -1.141 . . . . 0.0 109.465 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -94.37 -6.16 44.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.04 -1.038 . . . . 0.0 109.925 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.25 -46.3 1.09 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 12.0 mptt -47.94 99.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.085 -1.244 . . . . 0.0 109.141 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 22' ' ' ARG . 15.5 ttm-85 -72.41 -49.12 36.02 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.362 -0.836 . . . . 0.0 110.092 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.84 134.33 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 110.101 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.0 44.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.358 -0.839 . . . . 0.0 108.984 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 m -104.22 154.35 19.87 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.32 -0.863 . . . . 0.0 109.846 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 109.868 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -95.42 145.96 24.76 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.866 -1.146 . . . . 0.0 108.673 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -110.48 162.01 15.11 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -53.69 -11.89 0.44 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.241 -1.537 . . . . 0.0 110.307 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -61.03 -25.75 67.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.022 -1.048 . . . . 0.0 110.13 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 36.6 p -129.57 54.47 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.325 -0.859 . . . . 0.0 110.025 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.0 p -79.87 -11.84 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.089 -1.007 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.8 p -73.45 -46.12 50.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.577 -1.327 . . . . 0.0 110.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 17.5 p30 -55.17 -29.24 57.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.095 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.59 -37.3 73.88 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.802 -1.187 . . . . 0.0 108.271 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -63.03 -48.57 78.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.219 -0.926 . . . . 0.0 109.012 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -61.24 -42.89 99.4 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 110.092 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.17 -52.17 66.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -53.81 -51.45 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.097 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -41.62 63.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.548 -0.72 . . . . 0.0 110.082 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -58.63 -27.56 64.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.141 -0.975 . . . . 0.0 110.204 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.494 1.769 0 O-C-N 120.982 -1.074 . . . . 0.0 110.218 -179.584 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.5 tt -77.54 -50.3 12.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 109.013 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -27.01 63.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.28 -54.81 6.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -56.07 -28.98 59.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.518 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.95 -49.9 40.43 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.04 -18.63 2.17 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.088 -1.007 . . . . 0.0 108.548 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.33 -42.94 43.3 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -31.29 63.88 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.705 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -76.45 -33.7 58.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.05 . . . . 0.0 109.425 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -76.84 -24.94 52.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 110.491 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.87 -26.36 34.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.959 -1.088 . . . . 0.0 110.596 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.2 mtt -92.54 -8.17 45.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.706 -1.246 . . . . 0.0 109.635 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -92.7 -6.04 50.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.999 -1.063 . . . . 0.0 109.967 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.42 -50.86 0.87 Allowed Glycine 0 N--CA 1.504 3.169 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -50.8 93.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.95 -1.323 . . . . 0.0 108.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLY . 63.7 mtm180 -68.05 -50.99 51.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.594 -0.691 . . . . 0.0 109.792 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -77.95 133.87 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.045 -1.034 . . . . 0.0 109.57 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.57 152.47 50.51 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -103.64 144.6 31.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.298 -0.876 . . . . 0.0 109.847 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 26' ' ' VAL . 5.0 p . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.122 -0.986 . . . . 0.0 110.034 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.45 143.71 26.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.807 -1.183 . . . . 0.0 108.205 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -105.96 169.81 8.27 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.76 -11.54 1.45 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.668 -1.27 . . . . 0.0 109.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -63.75 -23.93 67.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.223 -0.923 . . . . 0.0 110.225 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 38.6 p -129.39 54.18 1.84 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -80.1 -11.62 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.137 -0.977 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 p -72.52 -46.87 52.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.695 -1.253 . . . . 0.0 109.876 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.67 -37.08 67.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 0.0 109.497 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.7 tp -63.58 -36.2 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.799 -1.188 . . . . 0.0 108.608 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.16 -43.39 87.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.235 -0.916 . . . . 0.0 109.232 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.61 -40.82 84.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -59.12 -51.56 69.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.0 109.148 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.44 -53.17 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.902 . . . . 0.0 109.2 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.3 -40.32 64.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.506 -0.746 . . . . 0.0 110.049 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.37 -27.05 63.86 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.143 -0.973 . . . . 0.0 109.986 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.969 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.24 -46.72 26.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 108.982 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.43 67.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.479 -0.763 . . . . 0.0 109.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.47 -55.86 5.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.135 -0.978 . . . . 0.0 109.903 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.16 -28.76 63.06 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.73 -50.29 31.48 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.316 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.25 -18.55 4.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.944 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.63 38.71 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -28.1 68.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.802 -1.186 . . . . 0.0 108.961 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -76.8 -32.62 57.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.998 -1.064 . . . . 0.0 108.977 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.5 -34.75 60.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -74.81 -23.52 58.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.084 -1.01 . . . . 0.0 110.594 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.04 53.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.801 -1.187 . . . . 0.0 109.689 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -93.93 -5.61 47.43 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.943 -1.098 . . . . 0.0 109.973 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 126.01 -45.5 1.15 Allowed Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.8 mptt -47.97 98.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 0.0 108.808 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 11.9 ptp180 -73.91 -46.01 47.07 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 110.488 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 23' ' ' VAL . 8.1 p -83.93 133.12 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.887 -1.133 . . . . 0.0 110.1 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.36 153.15 42.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.37 -0.831 . . . . 0.0 109.008 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -103.14 154.05 19.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.9 p . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.139 -0.976 . . . . 0.0 110.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.503 2.18 0 CA-C-O 120.867 0.365 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -95.17 143.49 26.56 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.809 -1.182 . . . . 0.0 107.884 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -104.49 167.37 9.78 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.59 -11.41 0.56 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.518 -1.364 . . . . 0.0 109.862 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.4 p -63.87 -23.08 67.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 110.146 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.6 p -129.81 54.13 1.87 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.349 -0.844 . . . . 0.0 110.182 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.3 p -81.83 -12.23 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.052 -1.03 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -74.11 -46.47 42.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.571 -1.331 . . . . 0.0 110.156 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 23.1 p30 -55.11 -27.63 46.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.096 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.2 tp -73.34 -35.52 66.02 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.845 -1.159 . . . . 0.0 108.395 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -63.91 -46.37 85.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.905 . . . . 0.0 109.521 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -40.44 91.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 110.084 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.14 -45.91 91.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.152 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.7 mt -56.4 -53.91 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.225 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.06 -40.2 66.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 -28.76 65.33 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.125 -0.984 . . . . 0.0 110.189 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.904 -1.122 . . . . 0.0 109.922 -179.834 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.42 -50.0 13.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.845 -1.159 . . . . 0.0 108.942 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.89 54.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 109.425 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -55.01 5.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.858 . . . . 0.0 109.685 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.89 -30.29 67.66 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.1 tpt180 -69.11 -50.27 49.56 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.45 -18.43 2.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.82 -38.84 45.45 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -31.44 70.33 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.678 -1.209 . . . . 0.0 108.709 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -77.03 -33.21 57.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.0 109.417 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 14.0 m-20 -75.91 -17.75 59.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.505 -0.747 . . . . 0.0 110.47 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -92.78 -23.88 18.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.902 -1.124 . . . . 0.0 110.344 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -8.02 50.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.117 . . . . 0.0 109.622 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -90.36 -5.33 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.846 -1.159 . . . . 0.0 110.072 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.44 -50.48 0.88 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -51.61 108.51 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.285 . . . . 0.0 108.741 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 41.3 ttp180 -79.68 -45.14 19.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.391 -0.818 . . . . 0.0 110.718 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.19 133.99 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.029 -1.044 . . . . 0.0 110.044 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.69 152.26 43.73 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.442 -0.786 . . . . 0.0 109.271 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -104.62 152.47 22.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.427 -0.796 . . . . 0.0 109.614 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.7 p . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.111 -0.993 . . . . 0.0 109.841 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.502 2.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.58 145.18 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.801 -1.187 . . . . 0.0 108.707 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -108.55 160.86 15.58 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.04 -11.41 0.45 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.4 p -59.7 -26.71 65.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.055 -1.028 . . . . 0.0 110.031 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 43.3 p -129.36 54.49 1.82 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.375 -0.828 . . . . 0.0 109.877 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.4 p -79.93 -11.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.195 -0.941 . . . . 0.0 110.319 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 p -73.28 -43.86 60.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.601 -1.312 . . . . 0.0 109.965 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.9 p30 -55.54 -33.11 63.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.967 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -68.12 -35.21 77.76 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.919 -1.113 . . . . 0.0 108.538 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -65.5 -44.55 86.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.289 -0.882 . . . . 0.0 109.329 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -66.96 -40.55 87.54 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.088 -1.008 . . . . 0.0 109.976 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.22 -51.91 67.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 0.0 109.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -53.84 -51.13 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.01 65.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.557 -0.714 . . . . 0.0 110.07 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.41 -27.05 63.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.494 1.743 0 O-C-N 120.974 -1.079 . . . . 0.0 110.095 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -77.14 -52.38 9.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.882 -1.136 . . . . 0.0 108.631 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.87 67.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.007 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.74 -54.84 6.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.25 -28.92 67.15 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.09 -49.85 40.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.333 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.89 2.22 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.139 -0.976 . . . . 0.0 108.621 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.22 -41.02 42.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -32.08 66.37 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 118.658 -1.217 . . . . 0.0 108.666 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.83 -33.77 57.91 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.026 -1.046 . . . . 0.0 109.387 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.22 -12.6 60.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.754 . . . . 0.0 110.479 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.43 -26.09 15.45 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.5 mtt -92.5 -7.15 48.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.796 -1.19 . . . . 0.0 109.673 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.49 -6.08 56.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.936 -1.102 . . . . 0.0 110.044 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.85 -49.78 0.91 Allowed Glycine 0 N--CA 1.502 3.067 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 13.3 mmmt -52.69 111.53 0.67 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.946 -1.326 . . . . 0.0 108.683 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HG3' ' H ' ' A' ' 37' ' ' ALA . 37.5 ttm180 -81.15 -43.27 19.61 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.198 -0.938 . . . . 0.0 110.229 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.3 p -85.73 134.96 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.126 -0.984 . . . . 0.0 110.208 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.4 151.85 42.24 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.452 -0.78 . . . . 0.0 108.917 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -109.93 140.26 44.12 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.371 -0.831 . . . . 0.0 109.875 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.112 -0.992 . . . . 0.0 109.103 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 121.045 0.45 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.09 142.54 27.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.877 -1.14 . . . . 0.0 108.193 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' THR . 75.3 p -101.35 161.69 13.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 22' ' ' ARG . . . -51.02 -11.43 0.09 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.435 -1.415 . . . . 0.0 110.387 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 72.7 p -61.49 -26.82 68.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.048 -1.032 . . . . 0.0 110.027 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.4 p -128.75 53.87 1.82 Allowed 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.47 -0.769 . . . . 0.0 110.011 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.7 p -78.44 -10.84 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.07 -1.019 . . . . 0.0 109.997 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 p -71.94 -46.72 56.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.681 -1.262 . . . . 0.0 109.864 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.69 -35.88 66.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 0.0 109.411 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.0 tp -64.3 -35.86 82.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.756 -1.215 . . . . 0.0 108.415 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -66.5 -45.07 80.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 109.012 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -65.01 -42.12 94.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.17 -49.56 77.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.18 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.19 -53.35 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.161 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.02 69.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.503 -0.748 . . . . 0.0 110.418 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -58.17 -28.24 64.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.987 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 N--CA 1.494 1.746 0 O-C-N 120.948 -1.095 . . . . 0.0 109.994 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -76.82 -52.32 9.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.009 -1.057 . . . . 0.0 108.692 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.78 -23.86 67.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -55.3 5.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.881 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.86 -30.47 69.0 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.019 -1.051 . . . . 0.0 108.208 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.8 tpt180 -68.01 -49.69 60.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.93 -18.81 2.15 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.771 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.64 -39.05 46.51 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -32.85 71.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.829 -1.169 . . . . 0.0 108.83 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -76.4 -34.98 58.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 109.225 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 13.1 m-20 -76.15 -9.1 58.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.448 -0.782 . . . . 0.0 110.361 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 mt -98.63 -26.1 14.5 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.525 -1.36 . . . . 0.0 110.431 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 mtt -92.14 -6.55 50.56 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.797 -1.189 . . . . 0.0 109.934 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -89.21 10.17 23.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.002 -1.061 . . . . 0.0 110.169 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.3 -45.95 1.24 Allowed Glycine 0 N--CA 1.502 3.056 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.5 mptp? -52.52 117.67 3.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -1.167 . . . . 0.0 108.32 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 30.7 ttt180 -90.03 -39.08 13.16 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.081 -1.012 . . . . 0.0 110.563 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -89.65 135.72 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.059 -1.026 . . . . 0.0 110.762 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.27 145.53 28.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 m -104.55 146.63 28.62 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.315 -0.866 . . . . 0.0 109.984 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.227 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 N--CA 1.497 1.925 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.46 141.72 28.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.959 -1.088 . . . . 0.0 108.159 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' THR . 82.4 p -97.59 164.71 12.31 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -50.25 -11.6 0.07 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.399 -1.438 . . . . 0.0 110.062 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' THR . 60.7 p -60.69 -26.92 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.057 -1.027 . . . . 0.0 110.044 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.422 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 53.1 p -128.3 54.0 1.77 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.377 -0.827 . . . . 0.0 109.804 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -80.14 -11.33 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.103 -0.998 . . . . 0.0 110.207 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.7 p -72.65 -45.72 57.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.649 -1.282 . . . . 0.0 109.971 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.6 -35.95 66.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.258 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -63.95 -37.85 88.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.825 -1.172 . . . . 0.0 108.497 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -64.41 -45.51 87.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.927 . . . . 0.0 108.979 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.52 -42.61 98.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.776 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.51 -51.89 67.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 109.188 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mt -55.52 -44.64 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.28 -0.888 . . . . 0.0 109.184 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.32 -42.79 82.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.511 -0.743 . . . . 0.0 110.155 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.53 -29.48 66.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.279 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.492 1.675 0 O-C-N 120.84 -1.163 . . . . 0.0 109.899 -179.74 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.39 -50.59 12.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.768 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -23.5 67.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.834 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.18 -55.11 6.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.055 -1.028 . . . . 0.0 109.689 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -62.21 -30.36 71.03 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.105 -0.997 . . . . 0.0 108.613 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.82 -50.3 51.28 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.38 -18.54 2.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 108.474 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.76 -37.73 48.43 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.524 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.08 74.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.745 -1.222 . . . . 0.0 109.031 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -76.85 -33.92 57.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.954 -1.092 . . . . 0.0 109.6 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 3.1 m-20 -76.39 -13.03 60.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.59 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 mt -96.21 -25.54 15.78 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.921 -1.112 . . . . 0.0 110.61 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 mtt -91.57 -6.49 52.3 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.175 . . . . 0.0 109.738 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -89.19 -5.44 57.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.883 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.83 -49.32 0.92 Allowed Glycine 0 N--CA 1.502 3.07 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -53.73 110.5 0.59 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.997 -1.296 . . . . 0.0 109.13 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 19.3 ttm-85 -80.32 -45.08 18.45 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.436 -0.79 . . . . 0.0 110.404 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 23' ' ' VAL . 11.9 p -79.64 133.85 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.021 -1.05 . . . . 0.0 109.891 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.68 153.35 48.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.427 -0.796 . . . . 0.0 109.471 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -103.91 147.14 27.68 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.353 -0.842 . . . . 0.0 109.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.032 -1.043 . . . . 0.0 110.391 -179.318 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.935 0.398 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.55 142.09 27.84 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.2 p -103.52 162.84 12.71 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.447 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.73 -11.78 0.65 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.352 -1.467 . . . . 0.0 110.303 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 p -57.11 -28.23 62.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.3 p -129.96 54.84 1.82 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.352 -0.842 . . . . 0.0 109.894 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.75 -11.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.117 -0.99 . . . . 0.0 109.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 p -72.66 -46.23 54.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.67 -1.268 . . . . 0.0 109.931 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 16.6 p30 -55.59 -29.4 59.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 109.294 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -69.59 -39.85 77.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.814 -1.179 . . . . 0.0 108.675 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -62.22 -46.46 88.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -64.79 -40.97 96.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.04 -49.07 79.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 0.0 109.653 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.84 -53.01 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.42 66.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.419 -0.801 . . . . 0.0 110.598 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -57.45 -30.7 65.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.012 -1.055 . . . . 0.0 109.729 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.493 1.687 0 O-C-N 120.948 -1.095 . . . . 0.0 109.469 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -77.13 -51.7 10.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.838 -1.164 . . . . 0.0 108.802 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.25 67.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 110.156 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.43 -55.55 5.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.974 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.05 -29.73 68.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.923 -1.11 . . . . 0.0 108.152 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.02 -49.59 56.33 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.63 -19.23 2.21 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.121 -0.987 . . . . 0.0 108.603 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.49 -40.91 48.86 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -30.62 64.79 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.604 -1.239 . . . . 0.0 108.464 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.78 -33.93 52.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.153 -0.967 . . . . 0.0 109.405 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 8.1 m-20 -75.68 -13.72 60.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 110.25 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.32 -23.88 15.92 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.128 -0.982 . . . . 0.0 110.226 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -8.58 46.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.95 -1.094 . . . . 0.0 109.152 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 p -90.67 -6.72 54.17 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.06 -1.025 . . . . 0.0 110.13 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.32 -48.37 0.97 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -49.66 113.49 0.85 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.945 -1.327 . . . . 0.0 108.506 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 33.4 ttt180 -84.07 -41.03 17.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 110.409 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.7 p -88.02 134.58 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.029 . . . . 0.0 110.456 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.75 143.09 28.43 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -104.27 146.7 28.42 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.278 -0.889 . . . . 0.0 110.074 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.88 . . . . 0.0 109.084 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -94.37 142.2 27.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.995 -1.066 . . . . 0.0 108.195 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 38' ' ' THR . 72.0 p -99.69 164.92 11.84 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.75 -12.02 0.27 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.37 -1.456 . . . . 0.0 110.182 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 36' ' ' THR . 56.9 p -59.2 -28.64 66.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.113 -0.992 . . . . 0.0 110.058 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 25.8 p -129.93 54.84 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.427 -0.795 . . . . 0.0 109.814 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.4 p -76.09 -11.39 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.145 -0.972 . . . . 0.0 109.926 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 p -72.49 -43.16 64.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.766 -1.209 . . . . 0.0 109.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 9.5 p30 -56.12 -32.79 64.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.085 -1.009 . . . . 0.0 109.167 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.5 tp -67.79 -36.72 80.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.845 -1.16 . . . . 0.0 108.241 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.34 -47.19 80.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.867 . . . . 0.0 109.021 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -63.55 -41.78 98.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.314 -0.866 . . . . 0.0 110.128 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.72 -51.95 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 0.0 109.476 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.24 -45.23 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.43 77.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.53 -0.731 . . . . 0.0 110.468 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.41 -33.24 69.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.128 -0.982 . . . . 0.0 109.789 -179.184 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.113 . . . . 0.0 109.909 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.5 tt -78.02 -49.98 12.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.806 -1.184 . . . . 0.0 108.898 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.31 24.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.82 6.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.41 -30.03 66.54 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 7.5 tpt180 -67.48 -49.76 62.1 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.04 -18.58 2.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 0.0 108.574 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.9 -39.16 43.94 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.69 68.26 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.478 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -76.19 -32.64 59.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.127 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 9.4 m-20 -76.8 -24.42 52.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.773 . . . . 0.0 110.618 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.49 -24.83 31.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.866 -1.146 . . . . 0.0 110.578 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.79 -6.95 47.82 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.734 -1.229 . . . . 0.0 110.256 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -89.03 27.78 1.3 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.772 -1.205 . . . . 0.0 110.033 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.19 -34.66 3.22 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -70.2 110.05 4.99 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -89.75 -33.83 16.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.925 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.71 134.46 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.627 -1.296 . . . . 0.0 110.189 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -151.54 151.99 32.32 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.417 -0.802 . . . . 0.0 109.581 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -115.55 151.89 34.05 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.557 -0.714 . . . . 0.0 109.245 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.0 p . . . . . 0 N--CA 1.494 1.749 0 O-C-N 121.101 -1.0 . . . . 0.0 109.456 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.3 tm-20 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.087 0.47 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.29 144.19 43.65 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -108.67 169.14 8.85 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.54 -11.75 3.3 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.668 -1.27 . . . . 0.0 109.761 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.6 p -63.73 -21.57 66.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.1 p -129.52 54.2 1.85 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.52 -0.737 . . . . 0.0 109.847 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.4 p -82.32 -12.37 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.058 -1.027 . . . . 0.0 110.463 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.6 p -73.67 -49.87 23.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.596 -1.315 . . . . 0.0 109.809 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.37 -32.15 62.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.23 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.9 tp -66.58 -37.29 84.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.737 -1.227 . . . . 0.0 108.331 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -65.81 -47.18 75.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 0.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -62.42 -42.62 99.58 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.226 -0.921 . . . . 0.0 109.891 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.48 -51.91 67.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.331 -0.856 . . . . 0.0 109.167 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mt -55.95 -47.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.203 -0.935 . . . . 0.0 109.182 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.39 72.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.48 -0.763 . . . . 0.0 110.064 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.22 -27.51 68.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.113 -0.992 . . . . 0.0 109.935 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 N--CA 1.493 1.717 0 O-C-N 120.996 -1.065 . . . . 0.0 109.854 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -76.41 -51.6 11.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.006 -1.059 . . . . 0.0 108.639 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -24.29 67.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.66 -55.44 5.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.51 -30.44 67.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.9 tpt180 -67.55 -49.2 64.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.87 -18.67 2.04 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.035 0.921 . . . . 0.0 108.758 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.02 -40.24 47.25 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -31.71 69.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.852 -1.155 . . . . 0.0 108.896 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -76.53 -30.97 57.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.02 -1.05 . . . . 0.0 109.185 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 22.4 m-20 -76.2 -12.71 60.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.413 -0.804 . . . . 0.0 110.334 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.54 -26.99 14.61 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.111 -0.993 . . . . 0.0 110.968 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 mtt -92.33 -6.16 50.79 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.876 -1.14 . . . . 0.0 109.633 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -89.1 -5.86 57.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.011 -1.056 . . . . 0.0 109.955 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.36 -48.67 0.96 Allowed Glycine 0 N--CA 1.502 3.059 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.47 120.01 6.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.973 -1.31 . . . . 0.0 108.974 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 16.5 ttm180 -89.11 -38.44 14.34 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.417 -0.802 . . . . 0.0 110.936 -178.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 p -81.6 138.13 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.054 -1.029 . . . . 0.0 110.547 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.7 151.97 35.83 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.424 -0.797 . . . . 0.0 109.271 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -122.5 152.72 40.04 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.417 -0.802 . . . . 0.0 109.791 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 26' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.848 0.356 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -127.15 147.89 50.18 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.49 -0.756 . . . . 0.0 109.795 178.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' THR . 70.5 p -96.94 163.0 13.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.558 -1.339 . . . . 0.0 108.107 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -48.25 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.411 -1.431 . . . . 0.0 110.083 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' THR . 58.9 p -60.38 -21.85 62.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.102 -0.999 . . . . 0.0 109.69 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 m -129.1 54.54 1.8 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.534 -0.729 . . . . 0.0 109.59 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.7 p -82.7 -11.62 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.054 -1.029 . . . . 0.0 110.46 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -73.34 -48.47 34.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.646 -1.283 . . . . 0.0 109.964 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' SER . 1.3 p-10 -55.24 -32.25 62.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 109.36 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 43' ' ' LEU . 16.0 tp -67.62 -38.02 83.33 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 108.544 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -64.69 -46.38 82.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 109.252 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.238 -0.913 . . . . 0.0 110.069 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.64 -51.97 67.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.93 -44.06 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.251 -0.906 . . . . 0.0 109.175 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.56 89.14 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.951 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.71 -27.69 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 110.152 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.493 1.686 0 O-C-N 120.975 -1.078 . . . . 0.0 110.048 -179.678 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.67 -48.89 15.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.942 -1.098 . . . . 0.0 108.917 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.52 -25.31 24.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.807 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.87 -56.26 4.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 109.937 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.83 -30.12 65.5 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.57 -49.33 66.76 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.67 -19.09 2.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.259 -0.901 . . . . 0.0 108.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.95 -38.79 44.48 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.03 69.14 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 118.764 -1.175 . . . . 0.0 108.785 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -76.94 -32.45 57.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.026 -1.047 . . . . 0.0 109.225 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 47.1 m-20 -76.25 -16.48 59.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 0.0 110.422 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -94.84 -23.62 17.4 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.005 -1.059 . . . . 0.0 110.317 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -8.14 48.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.03 -1.044 . . . . 0.0 109.562 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.83 -5.13 57.18 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.967 -1.083 . . . . 0.0 110.011 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.21 -49.27 0.9 Allowed Glycine 0 N--CA 1.502 3.092 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -52.27 115.51 1.77 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.437 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 20.8 ttm180 -86.49 -39.62 16.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.339 -0.85 . . . . 0.0 110.954 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -79.42 134.04 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.919 -1.113 . . . . 0.0 110.577 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -148.85 152.56 36.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.454 -0.779 . . . . 0.0 109.31 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -117.79 152.66 34.86 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.576 -0.703 . . . . 0.0 109.538 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.191 -0.943 . . . . 0.0 109.458 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.5 tm-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.58 144.58 45.01 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.4 p -109.59 161.96 14.87 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.61 -11.75 0.62 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.194 -1.566 . . . . 0.0 110.299 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -62.08 -24.49 67.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.973 . . . . 0.0 109.784 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.46 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 97.9 p -129.1 54.74 1.78 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.468 -0.77 . . . . 0.0 109.814 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -81.72 -10.89 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 p -72.42 -47.62 47.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.661 -1.275 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 21.4 p-10 -55.39 -34.87 64.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.8 tp -65.27 -36.06 82.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.68 -1.262 . . . . 0.0 108.536 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.51 -44.08 83.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 109.223 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -66.89 -40.61 87.8 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.131 -0.981 . . . . 0.0 109.913 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.52 -52.07 67.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 109.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -53.52 -46.65 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.088 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -41.88 71.38 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -58.6 -29.33 66.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.164 -0.96 . . . . 0.0 110.236 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.904 -1.123 . . . . 0.0 109.979 -179.764 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.67 -46.45 21.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.881 -1.137 . . . . 0.0 108.937 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.64 66.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.508 -0.745 . . . . 0.0 110.038 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.29 4.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 110.105 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.85 -29.16 66.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.35 -49.74 52.74 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.38 -19.19 3.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.078 -1.014 . . . . 0.0 109.143 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.24 -37.63 32.65 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -65.13 -27.33 68.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.896 -1.127 . . . . 0.0 109.042 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -76.82 -31.83 57.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.171 -0.955 . . . . 0.0 108.614 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -75.48 -34.54 60.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.549 -0.719 . . . . 0.0 110.172 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -75.17 -23.83 57.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.169 -0.957 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -10.36 49.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.845 -1.16 . . . . 0.0 109.399 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.55 -5.92 50.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.98 -1.075 . . . . 0.0 109.78 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.33 -42.7 1.47 Allowed Glycine 0 N--CA 1.502 3.05 0 N-CA-C 110.349 -1.101 . . . . 0.0 110.349 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.7 mptp? -49.67 103.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.998 -1.295 . . . . 0.0 109.053 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -76.32 -46.27 28.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 23' ' ' VAL . 7.3 p -82.99 133.4 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.186 -0.946 . . . . 0.0 110.266 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.56 33.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.344 -0.848 . . . . 0.0 109.031 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.2 m -111.23 154.39 24.5 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.433 -0.792 . . . . 0.0 110.065 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.1 p . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.224 -0.922 . . . . 0.0 109.364 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' CG2' ' A' ' 23' ' ' VAL . 13.6 tt0 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.187 0.517 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -113.9 144.23 43.39 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 64.8 p -105.11 164.19 12.0 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.53 -11.54 0.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.307 -1.496 . . . . 0.0 110.06 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 78.6 p -63.99 -22.19 66.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.046 . . . . 0.0 110.072 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 53.1 p -128.82 53.79 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.361 -0.837 . . . . 0.0 110.14 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -82.42 -11.7 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.092 -1.005 . . . . 0.0 110.252 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -73.57 -50.08 23.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.666 -1.271 . . . . 0.0 109.968 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.05 -31.3 61.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.308 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.9 tp -69.05 -35.14 76.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.746 -1.221 . . . . 0.0 108.349 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -66.27 -47.28 74.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 108.865 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.229 -0.919 . . . . 0.0 109.802 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.42 -52.1 67.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.21 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.5 mt -54.5 -51.71 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 109.025 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.43 61.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.601 -0.687 . . . . 0.0 110.328 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.54 -27.1 68.74 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.176 -0.953 . . . . 0.0 110.029 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.98 -1.075 . . . . 0.0 109.983 -179.778 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.4 tt -77.92 -49.46 14.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.996 -1.065 . . . . 0.0 109.034 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.34 37.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.15 5.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.169 -0.957 . . . . 0.0 109.622 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.51 -30.2 69.58 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.21 -50.6 45.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.46 -18.22 2.55 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.131 -0.981 . . . . 0.0 108.739 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.74 -36.88 36.66 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.575 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -32.83 73.37 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.797 -1.189 . . . . 0.0 109.051 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -76.24 -34.17 59.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 109.491 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 1.7 m-20 -76.53 -14.81 59.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.71 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -93.69 -24.94 17.67 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.826 -1.171 . . . . 0.0 110.542 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mtt -91.11 -6.53 53.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.73 -1.231 . . . . 0.0 109.749 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -89.37 -5.32 57.57 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.921 -1.112 . . . . 0.0 109.749 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.06 -49.7 0.91 Allowed Glycine 0 N--CA 1.503 3.139 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -53.39 108.85 0.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.288 . . . . 0.0 108.977 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 21.1 ttm180 -78.48 -46.09 20.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.445 -0.784 . . . . 0.0 110.479 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.93 133.68 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.017 -1.052 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.15 153.32 43.98 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -103.52 149.14 25.14 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.29 -0.881 . . . . 0.0 109.469 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.139 -0.976 . . . . 0.0 109.401 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 120.992 0.425 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -94.02 141.65 28.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.978 -1.076 . . . . 0.0 108.119 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -99.55 162.96 12.71 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.39 -12.12 0.63 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.205 -1.559 . . . . 0.0 110.376 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.2 p -57.75 -26.62 62.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.128 -0.982 . . . . 0.0 109.933 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 31.1 p -129.61 54.13 1.86 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.392 -0.817 . . . . 0.0 109.943 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.8 p -79.06 -11.41 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.041 -1.037 . . . . 0.0 110.1 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -72.91 -46.29 53.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.693 -1.254 . . . . 0.0 109.836 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.16 -35.21 64.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.099 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 13.8 tp -64.62 -38.7 91.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.907 -1.121 . . . . 0.0 108.818 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -64.41 -43.8 93.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.147 -0.971 . . . . 0.0 109.107 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 42' ' ' ASP . 7.6 ttpm? -64.94 -42.29 94.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.241 -0.912 . . . . 0.0 109.661 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.17 -51.82 67.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 0.0 109.21 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.09 -51.56 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.192 -0.942 . . . . 0.0 109.279 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.08 62.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.562 -0.711 . . . . 0.0 110.152 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -28.73 65.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.111 -0.993 . . . . 0.0 110.025 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.976 -179.671 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.2 tt -78.14 -49.65 13.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.853 -1.154 . . . . 0.0 109.013 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.61 50.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.86 . . . . 0.0 109.773 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.81 -55.49 5.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.74 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.79 -29.48 66.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.6 tpt180 -68.99 -49.92 53.54 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -18.57 2.05 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.067 0.937 . . . . 0.0 108.633 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.5 -42.15 36.76 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -28.0 61.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.668 -1.213 . . . . 0.0 108.378 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.238 -0.914 . . . . 0.0 109.292 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.25 -30.32 57.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 110.401 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.33 -23.69 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 110.087 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -12.67 30.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.955 -1.091 . . . . 0.0 109.716 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.69 -5.34 55.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.881 -1.137 . . . . 0.0 110.168 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.34 -50.2 0.89 Allowed Glycine 0 N--CA 1.502 3.091 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -51.84 102.03 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.943 -1.328 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -77.84 -42.41 33.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 110.827 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 p -82.39 133.87 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.886 -1.134 . . . . 0.0 110.043 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.41 37.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.362 -0.836 . . . . 0.0 109.081 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 m -105.43 139.28 40.29 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.419 -0.801 . . . . 0.0 109.969 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.971 . . . . 0.0 109.056 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.969 0.414 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.95 141.79 28.12 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.8 p -100.87 171.52 7.61 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.21 -11.7 0.8 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.739 -1.225 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 70.2 p -63.66 -25.84 68.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.258 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.1 p -127.95 53.81 1.76 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.921 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.1 p -79.82 -11.25 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 110.122 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.0 p -72.48 -46.7 53.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.75 -1.219 . . . . 0.0 109.841 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.79 -36.65 67.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.173 -0.954 . . . . 0.0 109.342 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.0 tp -63.44 -36.79 84.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.886 -1.134 . . . . 0.0 108.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -66.31 -44.65 82.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.213 -0.929 . . . . 0.0 109.022 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.83 -42.72 97.57 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.114 -0.991 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -58.64 -51.35 70.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.0 -53.59 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.75 63.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 110.733 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.37 -29.58 66.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.078 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 N--CA 1.494 1.774 0 O-C-N 120.892 -1.13 . . . . 0.0 109.836 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.75 -50.4 12.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 108.799 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.31 57.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 -55.01 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.14 -29.83 63.93 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.7 tpt180 -69.8 -50.42 43.23 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -18.13 2.86 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.182 -0.949 . . . . 0.0 108.821 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -78.88 -37.69 39.55 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -31.93 72.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.832 -1.168 . . . . 0.0 108.962 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -76.08 -32.1 59.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.026 -1.046 . . . . 0.0 109.378 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.25 -32.42 58.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.33 -0.856 . . . . 0.0 110.223 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.54 -25.6 57.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.965 -1.084 . . . . 0.0 110.915 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.1 mtt -91.08 -8.58 48.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.598 -1.314 . . . . 0.0 109.575 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.29 -6.06 51.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.045 -1.035 . . . . 0.0 109.702 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 129.96 -47.74 1.0 Allowed Glycine 0 N--CA 1.502 3.068 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.7 mptt -48.98 97.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.945 -1.327 . . . . 0.0 109.172 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' GLY . 30.1 ttm180 -69.76 -49.13 56.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.086 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.98 133.63 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.032 -1.042 . . . . 0.0 109.856 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.37 148.86 41.93 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -103.47 142.44 34.25 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.295 -0.878 . . . . 0.0 109.857 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 18.3 mp0 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 120.724 0.297 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.23 142.69 27.03 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' THR . 73.8 p -99.25 163.57 12.49 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -49.72 -11.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.429 -1.419 . . . . 0.0 110.211 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.2 p -65.58 -27.04 68.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.095 -1.003 . . . . 0.0 109.91 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 92.9 p -121.31 51.64 1.27 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.463 -0.773 . . . . 0.0 109.697 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.0 p -83.44 -11.77 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.186 -0.946 . . . . 0.0 110.337 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -73.16 -49.14 29.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.615 -1.303 . . . . 0.0 109.755 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.3 p-10 -55.33 -32.54 62.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.0 tp -66.51 -36.36 82.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.705 -1.247 . . . . 0.0 108.497 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -66.46 -44.6 82.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.314 -0.866 . . . . 0.0 109.247 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HZ3' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -65.02 -41.98 94.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.12 -0.988 . . . . 0.0 109.67 -179.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.97 -52.0 67.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.862 . . . . 0.0 108.956 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.1 mt -55.91 -45.01 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.34 -0.85 . . . . 0.0 109.161 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.55 69.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 0.0 110.285 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.71 -25.92 65.01 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.18 -0.95 . . . . 0.0 109.986 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.009 -1.057 . . . . 0.0 110.248 -179.633 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.75 -49.99 13.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.892 -1.13 . . . . 0.0 108.993 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.38 -24.3 54.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 0.0 109.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.78 -55.24 5.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 109.576 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.4 -28.86 65.6 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.41 -50.2 34.26 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.81 2.17 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.159 0.98 . . . . 0.0 108.492 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.22 -41.94 47.62 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -30.58 64.44 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.557 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -76.99 -32.53 57.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.034 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.39 -25.84 54.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.494 -0.753 . . . . 0.0 110.459 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.2 mt -84.7 -23.36 29.39 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.052 -1.03 . . . . 0.0 110.409 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -8.12 49.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.014 -1.054 . . . . 0.0 109.873 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -90.34 -4.87 56.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.897 -1.127 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.82 -50.16 0.87 Allowed Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.49 110.18 0.48 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.975 -1.309 . . . . 0.0 108.491 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 12.2 ptp180 -83.2 -41.59 18.24 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.332 -0.855 . . . . 0.0 110.932 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.5 p -79.44 134.23 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.973 -1.08 . . . . 0.0 110.112 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.93 43.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.525 -0.735 . . . . 0.0 109.247 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -104.05 151.5 23.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.342 -0.849 . . . . 0.0 109.599 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.0 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.042 -1.036 . . . . 0.0 110.207 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.502 2.136 0 CA-C-O 120.862 0.363 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.7 145.34 25.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.92 -1.112 . . . . 0.0 108.155 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 p -108.89 172.22 6.97 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -11.88 18.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.711 -1.243 . . . . 0.0 109.811 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 p -57.55 -25.27 59.68 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.195 -0.941 . . . . 0.0 110.21 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 3.9 t -133.46 55.61 1.89 Allowed 'General case' 0 N--CA 1.514 2.76 0 O-C-N 121.269 -0.894 . . . . 0.0 110.123 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.4 p -75.01 -11.31 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.981 -1.074 . . . . 0.0 109.651 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -72.58 -45.81 57.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.837 -1.164 . . . . 0.0 109.898 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.73 -36.07 66.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.0 109.311 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.1 tp -64.84 -35.2 80.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.835 -1.166 . . . . 0.0 108.68 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -66.66 -41.49 88.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.301 -0.874 . . . . 0.0 109.554 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -39.29 74.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.014 -1.054 . . . . 0.0 109.898 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -61.74 -45.12 95.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.198 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.19 -53.88 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.17 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.88 61.9 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.448 -0.783 . . . . 0.0 110.143 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.92 -29.17 66.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 109.901 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 N--CA 1.494 1.742 0 O-C-N 120.978 -1.076 . . . . 0.0 109.677 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.33 -48.95 18.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.876 -1.14 . . . . 0.0 108.961 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.16 -23.84 66.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.77 . . . . 0.0 109.627 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.65 5.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 0.0 110.033 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.14 -29.33 67.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.433 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.4 tpt180 -68.43 -50.02 55.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.01 -18.45 2.02 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.195 -0.941 . . . . 0.0 108.539 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.83 -41.4 44.36 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.08 64.75 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.495 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -77.08 -32.28 56.6 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.069 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.35 -27.87 56.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.54 -0.725 . . . . 0.0 110.419 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.0 -23.45 33.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.045 -1.034 . . . . 0.0 110.423 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -8.16 46.99 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.954 -1.091 . . . . 0.0 110.09 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.01 -4.9 57.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.753 -1.217 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.19 -50.0 0.88 Allowed Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -53.78 116.76 2.69 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.246 . . . . 0.0 108.181 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.559 HH11 ' CG ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -89.84 -35.06 15.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.126 -0.984 . . . . 0.0 111.311 -178.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.1 p -83.9 134.23 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.664 -1.272 . . . . 0.0 110.02 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.33 152.51 44.48 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.43 -0.794 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -106.52 144.1 33.69 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.373 -0.829 . . . . 0.0 109.7 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.954 -1.091 . . . . 0.0 109.568 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.5 2.059 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -94.27 141.66 28.3 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -100.87 171.6 7.56 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.14 -11.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.78 -1.2 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -65.03 -24.08 67.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 109.901 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 60.4 p -125.6 53.3 1.57 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.407 -0.808 . . . . 0.0 109.679 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -83.37 -12.69 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -0.961 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -73.3 -49.81 25.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.563 -1.336 . . . . 0.0 109.698 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.4 p-10 -55.44 -31.61 62.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.7 tp -65.58 -37.55 86.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.71 -1.244 . . . . 0.0 108.224 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -65.06 -46.36 81.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.923 . . . . 0.0 109.365 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -64.15 -41.95 96.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.901 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -57.94 -52.04 67.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.7 -48.31 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 0.0 109.347 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.43 -44.41 68.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.521 -0.737 . . . . 0.0 110.504 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.17 -29.44 65.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.141 -0.975 . . . . 0.0 110.328 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.789 -1.195 . . . . 0.0 109.804 -179.743 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t -63.84 -47.7 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.218 -0.926 . . . . 0.0 109.476 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -51.0 -38.37 50.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.271 -0.893 . . . . 0.0 109.379 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.0 -41.82 71.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 109.25 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -72.05 -48.76 42.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.767 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.49 -20.36 12.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.114 -0.991 . . . . 0.0 109.176 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.65 -50.11 13.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.947 -1.096 . . . . 0.0 108.976 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.59 46.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.01 5.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 109.585 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.31 -30.02 68.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.48 -50.14 48.17 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.17 -18.76 2.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.189 -0.944 . . . . 0.0 108.482 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.16 -40.79 51.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.38 67.97 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.646 -1.222 . . . . 0.0 108.632 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -77.18 -33.13 56.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.094 -1.004 . . . . 0.0 109.362 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 12.3 m-20 -76.19 -17.59 59.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.454 -0.779 . . . . 0.0 110.453 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -93.23 -23.48 18.52 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.928 -1.108 . . . . 0.0 110.385 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -7.84 51.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.388 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.36 -5.5 56.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.879 -1.138 . . . . 0.0 110.095 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.03 -48.85 0.93 Allowed Glycine 0 N--CA 1.503 3.157 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -50.45 112.75 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.937 -1.331 . . . . 0.0 108.765 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 15.3 ttm180 -82.35 -42.62 18.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.487 -0.758 . . . . 0.0 110.664 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.73 134.97 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.05 -1.031 . . . . 0.0 110.263 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.61 152.71 47.03 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.453 -0.779 . . . . 0.0 109.273 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 m -104.84 149.53 25.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.333 -0.854 . . . . 0.0 109.606 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.1 p -146.22 128.34 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.067 -1.021 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.743 HE22 ' HE ' ' A' ' 32' ' ' ARG . 28.8 mm-40 -84.97 116.62 23.48 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' NZ ' ' CZ ' ' A' ' 46' ' ' TYR . 55.6 tttp -131.29 114.68 15.32 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.374 -0.829 . . . . 0.0 109.723 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.27 35.71 23.44 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.398 -1.439 . . . . 0.0 109.342 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.84 8.21 60.39 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -118.51 131.98 56.23 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.436 -1.038 . . . . 0.0 109.191 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.743 ' HE ' HE22 ' A' ' 27' ' ' GLN . 88.1 mtt180 -88.72 146.28 25.14 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.582 0.706 . . . . 0.0 111.334 -178.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.46 146.35 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.48 102.37 10.24 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.805 -0.56 . . . . 0.0 111.03 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -95.13 144.51 25.7 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.972 -1.08 . . . . 0.0 108.188 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 38' ' ' THR . 60.9 p -107.94 162.03 14.39 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.21 -11.89 0.21 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.401 -1.437 . . . . 0.0 110.357 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 36' ' ' THR . 69.7 p -60.4 -26.18 66.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.077 -1.014 . . . . 0.0 109.996 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 47.7 p -128.31 53.92 1.78 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.365 -0.834 . . . . 0.0 109.838 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.2 p -79.2 -11.24 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.166 -0.959 . . . . 0.0 110.158 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.3 p -72.36 -46.99 52.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.689 -1.257 . . . . 0.0 109.728 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.69 -36.8 67.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.342 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.6 tp -63.29 -35.93 81.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.811 -1.181 . . . . 0.0 108.75 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -67.0 -40.99 87.44 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.566 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -71.17 -39.26 71.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.059 -1.026 . . . . 0.0 109.842 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 50.4 t80 -60.01 -51.14 70.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 109.122 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -52.58 -52.13 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.096 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.39 62.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.532 -0.73 . . . . 0.0 110.012 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.5 -26.39 63.4 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 110.072 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.95 -32.12 39.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.994 -1.066 . . . . 0.0 110.129 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -68.28 -27.37 66.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.908 -1.12 . . . . 0.0 108.986 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.6 -28.51 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.221 -0.924 . . . . 0.0 109.227 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.64 -30.35 52.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.219 -0.925 . . . . 0.0 109.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -84.41 15.16 3.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.95 . . . . 0.0 108.964 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.74 -63.32 1.28 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 56' ' ' MET . 4.3 mpp? -76.14 155.86 34.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.206 -1.173 . . . . 0.0 109.486 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' THR . 1.8 t -72.04 24.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 0.0 109.873 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 56' ' ' MET . 26.8 tt0 71.23 -53.06 0.68 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.0 OUTLIER 67.25 -70.03 0.12 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.574 ' CG ' HH11 ' A' ' 60' ' ' ARG . 0.1 OUTLIER -170.8 -154.8 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.907 . . . . 0.0 109.421 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -51.68 178.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.567 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG12 ' OE1' ' A' ' 6' ' ' GLU . 46.2 t -148.19 -39.26 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.79 -33.2 34.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.361 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -59.95 -50.21 74.64 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.291 -0.88 . . . . 0.0 109.385 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 21.9 mp0 -69.28 -48.21 62.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -0.851 . . . . 0.0 109.677 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 4.2 mp0 -57.93 -19.07 27.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.962 . . . . 0.0 109.522 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.42 -50.44 14.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.844 -1.16 . . . . 0.0 108.973 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.35 67.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.373 -0.83 . . . . 0.0 109.567 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.55 -55.06 5.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 0.0 109.612 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.63 -28.95 64.15 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.92 -50.11 45.42 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.38 -18.64 2.71 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.102 -0.999 . . . . 0.0 108.514 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.61 -40.06 50.57 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -32.5 70.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.813 -1.179 . . . . 0.0 108.777 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -77.02 -33.52 57.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.405 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 16.7 m-20 -76.16 -13.71 60.18 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 110.525 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.86 -26.33 16.23 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.974 -1.079 . . . . 0.0 110.618 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 mtt -92.25 -6.26 50.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.721 -1.237 . . . . 0.0 109.749 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -5.84 56.96 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.944 -1.097 . . . . 0.0 109.996 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.23 -50.16 0.9 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -55.36 115.76 2.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.952 -1.323 . . . . 0.0 108.813 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 35.3 ttp180 -83.11 -41.68 18.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.356 -0.84 . . . . 0.0 110.614 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.31 134.17 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.956 -1.09 . . . . 0.0 109.942 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.66 151.84 51.84 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -105.11 141.52 36.51 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.343 -0.848 . . . . 0.0 109.799 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.2 p -146.25 129.46 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.072 -1.018 . . . . 0.0 109.77 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -82.93 123.59 29.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' GLY . 62.8 tttm -136.17 140.24 43.45 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.425 -0.797 . . . . 0.0 108.854 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 2.5 p30 42.85 25.96 0.06 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.824 -1.173 . . . . 0.0 110.253 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 90.56 -34.28 4.25 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -89.41 142.35 27.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.14 -1.212 . . . . 0.0 109.611 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -92.94 147.68 22.63 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.787 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.06 147.46 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -110.37 103.55 12.21 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.887 -0.508 . . . . 0.0 110.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -93.84 143.48 26.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.874 -1.141 . . . . 0.0 108.348 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 p -102.89 162.24 13.09 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.33 -11.55 0.53 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.348 -1.47 . . . . 0.0 110.518 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.7 p -57.18 -28.59 62.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.033 -1.042 . . . . 0.0 110.16 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.8 p -130.15 54.93 1.83 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.323 -0.861 . . . . 0.0 109.852 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.7 p -76.77 -11.57 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.053 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -72.34 -44.18 63.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.719 -1.238 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 12.6 p30 -55.74 -30.58 61.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 0.0 109.192 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.02 -36.06 74.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.799 -1.188 . . . . 0.0 108.235 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -64.43 -47.66 78.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.287 -0.883 . . . . 0.0 109.146 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.83 -42.37 99.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 110.051 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.0 -51.43 70.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.165 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.86 -50.2 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.272 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.0 63.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.475 -0.765 . . . . 0.0 110.437 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.83 -28.52 66.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.153 -0.967 . . . . 0.0 110.739 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.57 -32.87 28.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.859 -1.15 . . . . 0.0 110.538 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -62.88 -29.86 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.731 -1.23 . . . . 0.0 109.039 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -83.45 -30.41 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.356 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.09 -37.1 34.42 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 109.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 56' ' ' MET . 2.6 m -91.91 30.69 1.35 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.133 -0.98 . . . . 0.0 109.393 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.94 30.84 0.92 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.7 OUTLIER -72.21 143.93 48.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -1.184 . . . . 0.0 109.43 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -174.87 55.23 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 0.0 109.377 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -82.75 -170.58 3.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.205 -0.935 . . . . 0.0 109.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -167.05 81.64 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.418 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.88 158.45 22.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.566 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.568 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.0 OUTLIER 57.5 98.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.911 . . . . 0.0 109.41 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 118.042 -1.421 . . . . 0.0 109.596 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.307 0.575 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.37 -20.56 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.568 ' CG ' HH11 ' A' ' 3' ' ' ARG . 3.4 mtt-85 -65.91 -29.13 69.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -41.58 99.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.868 . . . . 0.0 109.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -73.86 -48.56 30.23 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.724 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -20.49 12.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.053 -1.029 . . . . 0.0 109.088 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.2 tt -77.48 -50.05 13.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.953 -1.092 . . . . 0.0 108.857 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.21 61.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.465 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.77 -54.95 5.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.563 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.03 -30.41 68.0 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.3 tpt180 -68.79 -50.09 53.17 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.22 3.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.154 -0.966 . . . . 0.0 108.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.4 -36.83 38.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -29.37 70.44 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.816 -1.154 . . . . 0.0 108.944 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.9 -32.06 57.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.076 -1.015 . . . . 0.0 109.036 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.77 -34.8 60.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.127 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.26 -23.53 57.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.656 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -8.81 50.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.875 -1.141 . . . . 0.0 109.465 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -94.37 -6.16 44.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.04 -1.038 . . . . 0.0 109.925 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.25 -46.3 1.09 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 12.0 mptt -47.94 99.87 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.085 -1.244 . . . . 0.0 109.141 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 22' ' ' ARG . 15.5 ttm-85 -72.41 -49.12 36.02 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.362 -0.836 . . . . 0.0 110.092 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.84 134.33 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.14 -0.975 . . . . 0.0 110.101 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.0 44.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.358 -0.839 . . . . 0.0 108.984 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 m -104.22 154.35 19.87 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.32 -0.863 . . . . 0.0 109.846 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -146.71 130.91 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 109.868 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 27' ' ' GLN . 1.8 mp0 -85.68 118.04 24.94 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -133.76 114.6 13.58 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.257 -0.902 . . . . 0.0 109.658 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 54.79 44.58 28.24 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.356 -1.465 . . . . 0.0 109.422 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.6 63.95 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -135.28 131.99 37.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.426 -1.044 . . . . 0.0 108.922 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -91.59 145.19 24.8 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.59 0.709 . . . . 0.0 111.495 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.0 t -143.19 145.61 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -112.34 102.38 10.52 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.83 -0.544 . . . . 0.0 110.904 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -95.42 145.96 24.76 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.866 -1.146 . . . . 0.0 108.673 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -110.48 162.01 15.11 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -53.69 -11.89 0.44 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.241 -1.537 . . . . 0.0 110.307 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -61.03 -25.75 67.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.022 -1.048 . . . . 0.0 110.13 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 36.6 p -129.57 54.47 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.325 -0.859 . . . . 0.0 110.025 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.0 p -79.87 -11.84 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.089 -1.007 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.8 p -73.45 -46.12 50.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.577 -1.327 . . . . 0.0 110.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 17.5 p30 -55.17 -29.24 57.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.095 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.6 tp -70.59 -37.3 73.88 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.802 -1.187 . . . . 0.0 108.271 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -63.03 -48.57 78.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.219 -0.926 . . . . 0.0 109.012 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -61.24 -42.89 99.4 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 110.092 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -59.17 -52.17 66.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -53.81 -51.45 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.097 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -41.62 63.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.548 -0.72 . . . . 0.0 110.082 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -58.63 -27.56 64.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.141 -0.975 . . . . 0.0 110.204 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.5 mt -83.17 -30.73 27.59 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.982 -1.074 . . . . 0.0 110.218 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.99 -1.069 . . . . 0.0 109.684 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.9 t -84.04 -28.7 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 109.763 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.92 -37.02 48.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 109.876 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -86.06 18.36 3.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 0.0 109.605 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.15 71.87 0.49 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -169.88 133.31 1.2 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -1.15 . . . . 0.0 109.558 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.4 p -153.65 -10.86 0.15 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.25 -0.906 . . . . 0.0 109.4 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -83.73 -35.63 24.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 50.92 61.41 3.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.219 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 47.93 -127.81 1.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HD3' ' H ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -79.09 51.41 1.15 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.039 -1.423 . . . . 0.0 109.546 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.4 t -58.6 -30.48 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.0 109.564 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -69.6 -27.65 65.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.431 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -73.16 -35.97 66.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 109.16 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -74.56 -48.82 24.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 110.143 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -58.88 -20.01 47.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.092 -1.005 . . . . 0.0 109.531 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.5 tt -77.54 -50.3 12.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.711 -1.243 . . . . 0.0 109.013 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -27.01 63.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.28 -54.81 6.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -56.07 -28.98 59.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.518 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.95 -49.9 40.43 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.04 -18.63 2.17 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.088 -1.007 . . . . 0.0 108.548 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.33 -42.94 43.3 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -31.29 63.88 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.705 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -76.45 -33.7 58.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.05 . . . . 0.0 109.425 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -76.84 -24.94 52.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 110.491 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.87 -26.36 34.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.959 -1.088 . . . . 0.0 110.596 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.2 mtt -92.54 -8.17 45.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.706 -1.246 . . . . 0.0 109.635 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -92.7 -6.04 50.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.999 -1.063 . . . . 0.0 109.967 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 128.42 -50.86 0.87 Allowed Glycine 0 N--CA 1.504 3.169 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -50.8 93.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.95 -1.323 . . . . 0.0 108.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLY . 63.7 mtm180 -68.05 -50.99 51.84 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.594 -0.691 . . . . 0.0 109.792 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -77.95 133.87 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.045 -1.034 . . . . 0.0 109.57 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.57 152.47 50.51 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -103.64 144.6 31.23 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.298 -0.876 . . . . 0.0 109.847 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 26' ' ' VAL . 5.0 p -145.57 128.55 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.122 -0.986 . . . . 0.0 110.034 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -83.08 116.59 22.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -133.92 129.52 36.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.325 -0.859 . . . . 0.0 109.592 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 52.31 31.08 8.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.323 -1.486 . . . . 0.0 109.345 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.36 -27.85 2.4 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 141.42 28.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.236 -1.155 . . . . 0.0 109.196 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -94.8 147.6 23.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.87 -0.519 . . . . 0.0 109.684 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.27 147.17 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.43 102.87 11.2 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.791 -0.568 . . . . 0.0 110.899 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.45 143.71 26.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.807 -1.183 . . . . 0.0 108.205 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -105.96 169.81 8.27 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.76 -11.54 1.45 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.668 -1.27 . . . . 0.0 109.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -63.75 -23.93 67.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.223 -0.923 . . . . 0.0 110.225 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 38.6 p -129.39 54.18 1.84 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -80.1 -11.62 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.137 -0.977 . . . . 0.0 110.236 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 p -72.52 -46.87 52.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.695 -1.253 . . . . 0.0 109.876 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.67 -37.08 67.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 0.0 109.497 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.7 tp -63.58 -36.2 83.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.799 -1.188 . . . . 0.0 108.608 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.16 -43.39 87.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.235 -0.916 . . . . 0.0 109.232 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.61 -40.82 84.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -59.12 -51.56 69.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.0 109.148 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.44 -53.17 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.902 . . . . 0.0 109.2 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.3 -40.32 64.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.506 -0.746 . . . . 0.0 110.049 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.37 -27.05 63.86 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.143 -0.973 . . . . 0.0 109.986 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -81.18 -31.16 34.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.969 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.23 -30.69 71.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.98 -1.075 . . . . 0.0 109.236 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.24 -29.57 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -79.74 -37.07 36.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -97.84 14.46 27.01 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.91 95.56 1.42 Allowed Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -78.61 163.06 25.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -1.119 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.497 HG21 HH11 ' A' ' 60' ' ' ARG . 8.2 p -78.97 135.7 37.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 0.0 109.44 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' ARG . 30.0 tt0 -81.01 115.15 20.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.658 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.436 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 56.54 105.6 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.656 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.497 HH11 HG21 ' A' ' 57' ' ' THR . 56.7 ttt180 -171.15 48.5 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.453 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -77.71 -40.25 41.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.244 -0.91 . . . . 0.0 109.38 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.535 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mmm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.3 t -147.65 -39.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.259 -0.901 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -53.21 -21.25 4.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.324 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -72.12 -50.54 27.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.283 -0.886 . . . . 0.0 108.885 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.28 -41.49 80.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.315 -0.866 . . . . 0.0 109.486 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.02 -18.48 64.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.24 -46.72 26.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 108.982 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.43 67.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.479 -0.763 . . . . 0.0 109.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.47 -55.86 5.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.135 -0.978 . . . . 0.0 109.903 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.16 -28.76 63.06 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.73 -50.29 31.48 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.316 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.25 -18.55 4.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.944 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.63 38.71 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -28.1 68.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.802 -1.186 . . . . 0.0 108.961 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -76.8 -32.62 57.76 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.998 -1.064 . . . . 0.0 108.977 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.5 -34.75 60.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -74.81 -23.52 58.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.084 -1.01 . . . . 0.0 110.594 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.04 53.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.801 -1.187 . . . . 0.0 109.689 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -93.93 -5.61 47.43 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.943 -1.098 . . . . 0.0 109.973 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 126.01 -45.5 1.15 Allowed Glycine 0 N--CA 1.501 2.996 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.8 mptt -47.97 98.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 0.0 108.808 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 11.9 ptp180 -73.91 -46.01 47.07 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.232 -0.917 . . . . 0.0 110.488 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 23' ' ' VAL . 8.1 p -83.93 133.12 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.887 -1.133 . . . . 0.0 110.1 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.36 153.15 42.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.37 -0.831 . . . . 0.0 109.008 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -103.14 154.05 19.7 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.9 p -147.89 132.52 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.139 -0.976 . . . . 0.0 110.12 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -83.65 117.95 23.53 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -129.89 116.27 18.41 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.277 -0.889 . . . . 0.0 109.81 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.2 t70 53.53 34.1 17.68 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.397 -1.439 . . . . 0.0 109.762 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.09 30.82 67.16 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -140.33 135.61 32.35 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -1.133 . . . . 0.0 109.039 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -87.95 141.02 28.91 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.605 0.717 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -143.65 145.76 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -114.16 102.78 10.47 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.772 -0.58 . . . . 0.0 111.295 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -95.17 143.49 26.56 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.809 -1.182 . . . . 0.0 107.884 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -104.49 167.37 9.78 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.59 -11.41 0.56 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.518 -1.364 . . . . 0.0 109.862 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.4 p -63.87 -23.08 67.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 110.146 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.6 p -129.81 54.13 1.87 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.349 -0.844 . . . . 0.0 110.182 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.3 p -81.83 -12.23 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.052 -1.03 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -74.11 -46.47 42.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.571 -1.331 . . . . 0.0 110.156 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 23.1 p30 -55.11 -27.63 46.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.096 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.2 tp -73.34 -35.52 66.02 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.845 -1.159 . . . . 0.0 108.395 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -63.91 -46.37 85.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.905 . . . . 0.0 109.521 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -40.44 91.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 110.084 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.14 -45.91 91.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.152 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 67.7 mt -56.4 -53.91 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.225 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.06 -40.2 66.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 -28.76 65.33 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.125 -0.984 . . . . 0.0 110.189 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt -78.29 -33.33 49.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.904 -1.122 . . . . 0.0 109.922 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -62.2 -28.96 70.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.942 -1.099 . . . . 0.0 108.935 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.41 -29.35 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 109.17 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -79.3 -37.07 38.6 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.075 -1.016 . . . . 0.0 109.163 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 p -94.88 18.65 11.47 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.208 -0.932 . . . . 0.0 109.052 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.07 98.42 0.12 Allowed Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.8 mtt -88.75 75.37 8.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.268 -1.137 . . . . 0.0 109.348 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' GLN . 24.0 m 52.1 74.9 0.24 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.906 . . . . 0.0 109.466 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 57' ' ' THR . 8.3 tt0 61.17 134.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.789 0.804 . . . . 0.0 109.623 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -92.42 128.54 38.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.533 -0.73 . . . . 0.0 109.761 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -167.06 -113.76 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 109.349 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 54.03 73.35 0.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.01 -1.056 . . . . 0.0 109.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.526 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.93 -24.16 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.431 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.584 ' CG ' HH11 ' A' ' 3' ' ' ARG . 3.8 mtt-85 -61.08 -33.9 74.06 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.908 . . . . 0.0 109.469 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.81 -50.6 71.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.76 78.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 109.645 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -59.71 -19.47 50.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.106 -0.996 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.42 -50.0 13.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.845 -1.159 . . . . 0.0 108.942 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.89 54.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 109.425 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -55.01 5.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.858 . . . . 0.0 109.685 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.89 -30.29 67.66 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.1 tpt180 -69.11 -50.27 49.56 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.45 -18.43 2.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.129 -0.982 . . . . 0.0 108.612 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.82 -38.84 45.45 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -31.44 70.33 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.678 -1.209 . . . . 0.0 108.709 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -77.03 -33.21 57.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.0 109.417 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 14.0 m-20 -75.91 -17.75 59.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.505 -0.747 . . . . 0.0 110.47 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -92.78 -23.88 18.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.902 -1.124 . . . . 0.0 110.344 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -8.02 50.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.117 . . . . 0.0 109.622 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -90.36 -5.33 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.846 -1.159 . . . . 0.0 110.072 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.44 -50.48 0.88 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -51.61 108.51 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.285 . . . . 0.0 108.741 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 41.3 ttp180 -79.68 -45.14 19.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.391 -0.818 . . . . 0.0 110.718 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.4 t -81.19 133.99 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.029 -1.044 . . . . 0.0 110.044 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.69 152.26 43.73 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.442 -0.786 . . . . 0.0 109.271 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -104.62 152.47 22.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.427 -0.796 . . . . 0.0 109.614 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.7 p -146.62 128.86 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.111 -0.993 . . . . 0.0 109.841 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -84.69 99.16 10.64 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -106.85 115.4 30.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.471 -0.768 . . . . 0.0 109.509 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 56.34 28.44 13.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.327 -1.483 . . . . 0.0 109.354 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.19 -23.3 9.83 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.27 139.19 31.82 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.048 -1.266 . . . . 0.0 109.02 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.84 144.85 25.31 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.438 0.637 . . . . 0.0 109.881 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.85 145.73 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.27 102.53 11.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.811 -0.555 . . . . 0.0 110.772 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.58 145.18 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.801 -1.187 . . . . 0.0 108.707 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -108.55 160.86 15.58 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.04 -11.41 0.45 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.4 p -59.7 -26.71 65.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.055 -1.028 . . . . 0.0 110.031 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 43.3 p -129.36 54.49 1.82 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.375 -0.828 . . . . 0.0 109.877 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' VAL . 4.4 p -79.93 -11.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.195 -0.941 . . . . 0.0 110.319 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 p -73.28 -43.86 60.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.601 -1.312 . . . . 0.0 109.965 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.9 p30 -55.54 -33.11 63.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.967 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -68.12 -35.21 77.76 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.919 -1.113 . . . . 0.0 108.538 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -65.5 -44.55 86.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.289 -0.882 . . . . 0.0 109.329 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -66.96 -40.55 87.54 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.088 -1.008 . . . . 0.0 109.976 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.22 -51.91 67.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 0.0 109.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -53.84 -51.13 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.0 109.156 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.01 65.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.557 -0.714 . . . . 0.0 110.07 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.41 -27.05 63.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -79.87 -32.29 40.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.974 -1.079 . . . . 0.0 110.095 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -68.4 -27.67 66.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.978 -1.076 . . . . 0.0 109.022 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.6 t -80.88 -29.11 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.186 -0.946 . . . . 0.0 109.214 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -79.31 -34.18 42.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.154 -0.967 . . . . 0.0 109.448 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -90.67 16.95 8.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.246 -0.909 . . . . 0.0 109.051 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.09 -86.89 1.01 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.23 138.39 4.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -1.058 . . . . 0.0 110.022 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 p -83.31 137.67 33.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.341 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.99 129.84 41.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.0 109.446 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -151.35 -65.11 0.18 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -58.87 125.25 22.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 109.373 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 1.7 tpm_? -161.34 40.59 0.15 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.583 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t -147.85 -22.81 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.288 -0.882 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -62.88 -32.95 74.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.45 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -59.18 -50.76 72.8 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 0.0 109.303 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 22.2 mp0 -65.39 -44.76 86.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.25 -18.78 17.79 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.175 -0.953 . . . . 0.0 109.473 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -77.14 -52.38 9.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.882 -1.136 . . . . 0.0 108.631 179.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.87 67.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.007 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.74 -54.84 6.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.25 -28.92 67.15 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.09 -49.85 40.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.333 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.89 2.22 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.139 -0.976 . . . . 0.0 108.621 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.22 -41.02 42.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -32.08 66.37 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 118.658 -1.217 . . . . 0.0 108.666 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.83 -33.77 57.91 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.026 -1.046 . . . . 0.0 109.387 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.22 -12.6 60.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.493 -0.754 . . . . 0.0 110.479 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.43 -26.09 15.45 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.5 mtt -92.5 -7.15 48.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.796 -1.19 . . . . 0.0 109.673 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.49 -6.08 56.74 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.936 -1.102 . . . . 0.0 110.044 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.85 -49.78 0.91 Allowed Glycine 0 N--CA 1.502 3.067 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 13.3 mmmt -52.69 111.53 0.67 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.946 -1.326 . . . . 0.0 108.683 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HG3' ' H ' ' A' ' 37' ' ' ALA . 37.5 ttm180 -81.15 -43.27 19.61 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.198 -0.938 . . . . 0.0 110.229 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.3 p -85.73 134.96 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.126 -0.984 . . . . 0.0 110.208 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.4 151.85 42.24 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.452 -0.78 . . . . 0.0 108.917 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 m -109.93 140.26 44.12 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.371 -0.831 . . . . 0.0 109.875 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.43 143.44 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.112 -0.992 . . . . 0.0 109.103 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -82.8 121.85 27.45 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 31' ' ' ARG . 85.8 tttt -137.45 137.7 39.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.191 -0.943 . . . . 0.0 109.469 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.7 t0 50.71 30.49 5.02 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.44 -1.413 . . . . 0.0 109.459 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.91 -29.4 2.41 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' LYS . 4.5 tpp180 -97.84 139.82 33.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.332 -1.099 . . . . 0.0 109.249 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -86.95 146.74 26.04 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.467 0.651 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.9 t -142.61 147.8 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -106.25 103.79 13.34 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.92 -0.487 . . . . 0.0 110.587 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.09 142.54 27.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.877 -1.14 . . . . 0.0 108.193 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' THR . 75.3 p -101.35 161.69 13.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 22' ' ' ARG . . . -51.02 -11.43 0.09 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.435 -1.415 . . . . 0.0 110.387 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' THR . 72.7 p -61.49 -26.82 68.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.048 -1.032 . . . . 0.0 110.027 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.4 p -128.75 53.87 1.82 Allowed 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.47 -0.769 . . . . 0.0 110.011 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.7 p -78.44 -10.84 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.07 -1.019 . . . . 0.0 109.997 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 p -71.94 -46.72 56.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.681 -1.262 . . . . 0.0 109.864 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.69 -35.88 66.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 0.0 109.411 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.0 tp -64.3 -35.86 82.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.756 -1.215 . . . . 0.0 108.415 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -66.5 -45.07 80.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 0.0 109.012 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -65.01 -42.12 94.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.125 -0.984 . . . . 0.0 109.793 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.17 -49.56 77.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.18 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.434 HG22 ' OE2' ' A' ' 51' ' ' GLU . 69.1 mt -55.19 -53.35 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.161 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.02 69.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.503 -0.748 . . . . 0.0 110.418 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -58.17 -28.24 64.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.987 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -78.94 -31.69 45.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.948 -1.095 . . . . 0.0 109.994 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' OE2' HG22 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -62.42 -32.88 73.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.957 -1.089 . . . . 0.0 109.105 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.99 -32.2 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.121 -0.987 . . . . 0.0 109.609 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -80.74 -36.67 31.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.965 -1.084 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -92.94 16.3 12.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.27 -0.894 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.34 65.62 2.36 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mmt -98.14 144.52 27.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.261 -1.141 . . . . 0.0 109.328 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.9 p -153.57 82.42 1.17 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.2 -0.938 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -160.55 85.35 0.71 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.236 -0.915 . . . . 0.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.545 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.1 OUTLIER 50.15 -174.07 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -162.67 -22.66 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.188 -0.945 . . . . 0.0 109.747 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 53.59 -150.5 0.37 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.131 -0.981 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.506 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.12 -31.25 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.909 . . . . 0.0 109.547 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -58.6 -33.33 69.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -61.03 -50.47 73.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.165 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.97 -47.09 78.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.518 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -54.7 -18.53 4.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -76.82 -52.32 9.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.009 -1.057 . . . . 0.0 108.692 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.78 -23.86 67.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -55.3 5.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.881 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.86 -30.47 69.0 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.019 -1.051 . . . . 0.0 108.208 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.8 tpt180 -68.01 -49.69 60.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.93 -18.81 2.15 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.771 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.64 -39.05 46.51 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -32.85 71.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.829 -1.169 . . . . 0.0 108.83 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -76.4 -34.98 58.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.993 -1.067 . . . . 0.0 109.225 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 13.1 m-20 -76.15 -9.1 58.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.448 -0.782 . . . . 0.0 110.361 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 mt -98.63 -26.1 14.5 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.525 -1.36 . . . . 0.0 110.431 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 mtt -92.14 -6.55 50.56 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.797 -1.189 . . . . 0.0 109.934 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -89.21 10.17 23.07 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.002 -1.061 . . . . 0.0 110.169 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.3 -45.95 1.24 Allowed Glycine 0 N--CA 1.502 3.056 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.5 mptp? -52.52 117.67 3.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -1.167 . . . . 0.0 108.32 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 30.7 ttt180 -90.03 -39.08 13.16 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.081 -1.012 . . . . 0.0 110.563 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -89.65 135.72 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.059 -1.026 . . . . 0.0 110.762 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.27 145.53 28.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 m -104.55 146.63 28.62 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.315 -0.866 . . . . 0.0 109.984 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.32 135.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.227 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -82.19 116.05 21.56 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -107.54 144.81 34.01 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.51 89.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.789 -1.194 . . . . 0.0 109.636 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 142.72 -50.95 0.69 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.4 149.09 2.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.083 -1.245 . . . . 0.0 109.527 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -79.08 144.03 34.98 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.9 t -143.7 148.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.096 -1.002 . . . . 0.0 109.243 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -103.22 103.24 13.26 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.81 -0.556 . . . . 0.0 110.554 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.46 141.72 28.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.959 -1.088 . . . . 0.0 108.159 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' THR . 82.4 p -97.59 164.71 12.31 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -50.25 -11.6 0.07 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.399 -1.438 . . . . 0.0 110.062 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' THR . 60.7 p -60.69 -26.92 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.057 -1.027 . . . . 0.0 110.044 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.422 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 53.1 p -128.3 54.0 1.77 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.377 -0.827 . . . . 0.0 109.804 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -80.14 -11.33 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.103 -0.998 . . . . 0.0 110.207 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.7 p -72.65 -45.72 57.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.649 -1.282 . . . . 0.0 109.971 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.6 -35.95 66.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.258 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -63.95 -37.85 88.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.825 -1.172 . . . . 0.0 108.497 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -64.41 -45.51 87.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.927 . . . . 0.0 108.979 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.52 -42.61 98.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.776 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.51 -51.89 67.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 109.188 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mt -55.52 -44.64 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.28 -0.888 . . . . 0.0 109.184 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.32 -42.79 82.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.511 -0.743 . . . . 0.0 110.155 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.53 -29.48 66.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.279 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -80.12 -32.1 39.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.84 -1.163 . . . . 0.0 109.899 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.85 -31.39 70.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.915 -1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.5 -29.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.285 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -79.26 -35.54 41.27 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.062 -1.024 . . . . 0.0 109.882 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -83.15 30.4 0.46 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.171 -0.956 . . . . 0.0 109.373 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.94 47.96 0.76 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.1 ttp -165.68 128.98 2.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -1.146 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.2 p -147.58 142.75 27.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.266 -0.896 . . . . 0.0 109.37 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.24 134.6 49.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.152 -0.968 . . . . 0.0 109.49 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -150.99 128.43 11.37 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -150.73 154.18 36.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.226 -0.921 . . . . 0.0 109.251 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 53.51 89.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.292 -0.88 . . . . 0.0 109.468 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mmm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.5 -38.36 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -50.78 -26.76 6.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.364 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.0 -47.62 82.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.335 -0.853 . . . . 0.0 109.673 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -54.71 -19.09 5.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.575 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.39 -50.59 12.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.768 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -23.5 67.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.834 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.18 -55.11 6.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.055 -1.028 . . . . 0.0 109.689 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -62.21 -30.36 71.03 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.105 -0.997 . . . . 0.0 108.613 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.82 -50.3 51.28 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.38 -18.54 2.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.162 -0.961 . . . . 0.0 108.474 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.76 -37.73 48.43 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.524 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.08 74.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.745 -1.222 . . . . 0.0 109.031 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -76.85 -33.92 57.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.954 -1.092 . . . . 0.0 109.6 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 3.1 m-20 -76.39 -13.03 60.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.59 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 mt -96.21 -25.54 15.78 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.921 -1.112 . . . . 0.0 110.61 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 mtt -91.57 -6.49 52.3 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.819 -1.175 . . . . 0.0 109.738 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -89.19 -5.44 57.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.883 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.83 -49.32 0.92 Allowed Glycine 0 N--CA 1.502 3.07 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -53.73 110.5 0.59 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.997 -1.296 . . . . 0.0 109.13 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 19.3 ttm-85 -80.32 -45.08 18.45 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.436 -0.79 . . . . 0.0 110.404 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 23' ' ' VAL . 11.9 p -79.64 133.85 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.021 -1.05 . . . . 0.0 109.891 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.68 153.35 48.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.427 -0.796 . . . . 0.0 109.471 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -103.91 147.14 27.68 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.353 -0.842 . . . . 0.0 109.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -144.33 129.95 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.032 -1.043 . . . . 0.0 110.391 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -83.53 119.24 24.45 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -142.17 125.48 16.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.114 -0.992 . . . . 0.0 109.994 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 50.16 53.9 12.04 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.379 -1.451 . . . . 0.0 109.546 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.36 33.97 6.12 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -147.37 135.72 21.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -1.137 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -90.08 145.57 24.97 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.516 0.674 . . . . 0.0 111.107 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.9 t -144.03 145.5 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -112.43 102.54 10.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.889 -0.507 . . . . 0.0 111.097 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.55 142.09 27.84 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.2 p -103.52 162.84 12.71 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.73 -11.78 0.65 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.352 -1.467 . . . . 0.0 110.303 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 p -57.11 -28.23 62.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 26.3 p -129.96 54.84 1.82 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.352 -0.842 . . . . 0.0 109.894 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.75 -11.79 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.117 -0.99 . . . . 0.0 109.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 p -72.66 -46.23 54.96 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.67 -1.268 . . . . 0.0 109.931 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 16.6 p30 -55.59 -29.4 59.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 109.294 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 14.8 tp -69.59 -39.85 77.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.814 -1.179 . . . . 0.0 108.675 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -62.22 -46.46 88.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -64.79 -40.97 96.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.04 -49.07 79.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 0.0 109.653 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 59.3 mt -55.84 -53.01 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.42 66.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.419 -0.801 . . . . 0.0 110.598 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 53' ' ' GLN . 41.0 mm-40 -57.45 -30.7 65.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.012 -1.055 . . . . 0.0 109.729 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.01 -31.68 64.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.948 -1.095 . . . . 0.0 109.469 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -62.4 -32.27 73.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.055 -1.028 . . . . 0.0 108.996 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.93 -33.46 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.168 -0.957 . . . . 0.0 109.611 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' NE2' ' N ' ' A' ' 53' ' ' GLN . 0.6 OUTLIER -81.25 -39.91 24.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.992 -1.067 . . . . 0.0 109.509 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 56' ' ' MET . 2.7 m -96.77 18.71 13.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.116 -0.99 . . . . 0.0 109.272 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -55.63 -10.41 3.18 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 56' ' ' MET . 2.2 mpt? -74.92 162.42 28.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.225 -1.162 . . . . 0.0 109.457 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.48 69.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.316 -0.865 . . . . 0.0 109.406 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.651 ' NE2' ' H ' ' A' ' 58' ' ' GLN . 3.8 mp0 -58.05 131.86 51.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.233 -0.917 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 61' ' ' ARG . 69.5 ttt180 -171.1 -17.02 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.406 -0.809 . . . . 0.0 109.449 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -70.34 9.78 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.348 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.3 OUTLIER -161.98 -74.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.385 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.569 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.3 t -60.62 -32.99 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.875 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' A' ' 3' ' ' ARG . 4.0 mtt-85 -53.52 -21.04 5.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.927 . . . . 0.0 109.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -65.51 -50.21 66.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.21 -0.931 . . . . 0.0 109.387 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.65 -46.85 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 0.0 109.685 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.93 -19.24 6.25 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.15 -0.969 . . . . 0.0 109.434 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -77.13 -51.7 10.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.838 -1.164 . . . . 0.0 108.802 179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -23.25 67.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 110.156 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.43 -55.55 5.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.974 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.05 -29.73 68.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.923 -1.11 . . . . 0.0 108.152 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -69.02 -49.59 56.33 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.63 -19.23 2.21 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.121 -0.987 . . . . 0.0 108.603 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.49 -40.91 48.86 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -30.62 64.79 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 118.604 -1.239 . . . . 0.0 108.464 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.78 -33.93 52.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.153 -0.967 . . . . 0.0 109.405 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 8.1 m-20 -75.68 -13.72 60.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 110.25 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.32 -23.88 15.92 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.128 -0.982 . . . . 0.0 110.226 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -8.58 46.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.95 -1.094 . . . . 0.0 109.152 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 p -90.67 -6.72 54.17 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.06 -1.025 . . . . 0.0 110.13 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.32 -48.37 0.97 Allowed Glycine 0 N--CA 1.502 3.083 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -49.66 113.49 0.85 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.945 -1.327 . . . . 0.0 108.506 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 33.4 ttt180 -84.07 -41.03 17.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 110.409 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.7 p -88.02 134.58 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.029 . . . . 0.0 110.456 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.75 143.09 28.43 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -104.27 146.7 28.42 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.278 -0.889 . . . . 0.0 110.074 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.25 134.93 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.88 . . . . 0.0 109.084 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -82.65 117.09 22.35 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' GLY . 45.8 tttm -106.57 145.25 32.12 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.28 87.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.814 -1.179 . . . . 0.0 109.426 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 144.25 -49.05 0.71 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -170.86 147.38 2.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -1.22 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -79.56 144.62 33.73 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.63 147.69 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.054 -1.029 . . . . 0.0 109.233 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.18 104.19 14.07 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.766 -0.584 . . . . 0.0 110.589 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -94.37 142.2 27.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.995 -1.066 . . . . 0.0 108.195 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 38' ' ' THR . 72.0 p -99.69 164.92 11.84 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -52.75 -12.02 0.27 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.37 -1.456 . . . . 0.0 110.182 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 36' ' ' THR . 56.9 p -59.2 -28.64 66.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.113 -0.992 . . . . 0.0 110.058 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.435 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 25.8 p -129.93 54.84 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.427 -0.795 . . . . 0.0 109.814 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.4 p -76.09 -11.39 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.145 -0.972 . . . . 0.0 109.926 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 p -72.49 -43.16 64.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.766 -1.209 . . . . 0.0 109.886 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 9.5 p30 -56.12 -32.79 64.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.085 -1.009 . . . . 0.0 109.167 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.5 tp -67.79 -36.72 80.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.845 -1.16 . . . . 0.0 108.241 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.34 -47.19 80.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.867 . . . . 0.0 109.021 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -63.55 -41.78 98.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.314 -0.866 . . . . 0.0 110.128 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.72 -51.95 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 0.0 109.476 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.24 -45.23 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.43 77.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.53 -0.731 . . . . 0.0 110.468 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.41 -33.24 69.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.128 -0.982 . . . . 0.0 109.789 -179.184 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.22 -31.32 62.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.113 . . . . 0.0 109.909 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -63.13 -32.27 73.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.1 . . . . 0.0 109.339 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.94 -31.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.422 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -80.57 -36.51 32.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.051 -1.03 . . . . 0.0 109.436 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -98.13 18.0 17.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.374 -0.829 . . . . 0.0 109.17 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 56' ' ' MET . . . -70.92 -117.38 0.04 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.6 OUTLIER 56.75 140.5 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.749 0.785 . . . . 0.0 110.249 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 p -89.65 -91.82 0.13 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.953 -1.092 . . . . 0.0 109.54 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -89.74 -153.97 0.3 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.251 -0.905 . . . . 0.0 109.187 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.2 OUTLIER -145.39 -176.1 4.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.016 -1.052 . . . . 0.0 109.507 -179.385 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -159.75 45.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.349 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 49.16 55.23 9.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.604 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -56.59 -43.28 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 109.47 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -54.57 -37.46 65.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.52 -43.91 96.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.913 . . . . 0.0 109.379 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.14 -48.5 57.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.329 -0.857 . . . . 0.0 109.884 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -56.96 -19.23 16.99 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.089 -1.007 . . . . 0.0 109.904 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.5 tt -78.02 -49.98 12.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.806 -1.184 . . . . 0.0 108.898 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.31 24.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.75 -54.82 6.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.41 -30.03 66.54 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 7.5 tpt180 -67.48 -49.76 62.1 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -53.04 -18.58 2.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.232 -0.918 . . . . 0.0 108.574 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.9 -39.16 43.94 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -31.69 68.26 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.478 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -76.19 -32.64 59.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.127 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 9.4 m-20 -76.8 -24.42 52.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.773 . . . . 0.0 110.618 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.49 -24.83 31.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.866 -1.146 . . . . 0.0 110.578 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.79 -6.95 47.82 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.734 -1.229 . . . . 0.0 110.256 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -89.03 27.78 1.3 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.772 -1.205 . . . . 0.0 110.033 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.19 -34.66 3.22 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -70.2 110.05 4.99 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -89.75 -33.83 16.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.925 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.71 134.46 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.627 -1.296 . . . . 0.0 110.189 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -151.54 151.99 32.32 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.417 -0.802 . . . . 0.0 109.581 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -115.55 151.89 34.05 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.557 -0.714 . . . . 0.0 109.245 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.0 p -143.94 125.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.101 -1.0 . . . . 0.0 109.456 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -85.81 115.2 23.31 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 79.2 tttt -107.38 145.37 33.0 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -54.07 86.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.812 -1.18 . . . . 0.0 109.477 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 147.95 -48.71 0.62 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HD3' ' H ' ' A' ' 32' ' ' ARG . 3.9 tpp180 -170.98 146.05 2.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.145 -1.209 . . . . 0.0 110.125 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.537 HH11 ' CG ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -84.58 147.3 27.07 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.59 144.75 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.966 -1.084 . . . . 0.0 109.475 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.3 tm-20 -99.85 121.85 41.92 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.779 -0.576 . . . . 0.0 110.948 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.29 144.19 43.65 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -108.67 169.14 8.85 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.54 -11.75 3.3 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.668 -1.27 . . . . 0.0 109.761 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.6 p -63.73 -21.57 66.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 46.1 p -129.52 54.2 1.85 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.52 -0.737 . . . . 0.0 109.847 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.4 p -82.32 -12.37 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.058 -1.027 . . . . 0.0 110.463 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.6 p -73.67 -49.87 23.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.596 -1.315 . . . . 0.0 109.809 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.37 -32.15 62.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.23 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.9 tp -66.58 -37.29 84.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.737 -1.227 . . . . 0.0 108.331 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -65.81 -47.18 75.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 0.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -62.42 -42.62 99.58 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.226 -0.921 . . . . 0.0 109.891 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.48 -51.91 67.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.331 -0.856 . . . . 0.0 109.167 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mt -55.95 -47.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.203 -0.935 . . . . 0.0 109.182 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.39 72.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.48 -0.763 . . . . 0.0 110.064 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.22 -27.51 68.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.113 -0.992 . . . . 0.0 109.935 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -79.78 -30.2 40.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.996 -1.065 . . . . 0.0 109.854 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -66.7 -31.93 72.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.063 -1.023 . . . . 0.0 109.627 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.92 -29.18 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.127 -0.983 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -79.34 -35.75 40.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.078 -1.013 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -81.67 30.06 0.37 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 109.609 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -99.19 33.57 6.06 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 56' ' ' MET . 4.6 mpp? -59.6 163.04 4.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.13 -1.218 . . . . 0.0 109.211 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -148.48 -8.92 0.37 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' OE1' ' NE ' ' A' ' 60' ' ' ARG . 11.1 tt0 -155.49 -38.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 109.381 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.0 OUTLIER 58.09 41.52 23.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.4 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' NE ' ' OE1' ' A' ' 58' ' ' GLN . 42.8 ttm180 -62.8 84.62 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -0.917 . . . . 0.0 109.486 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ARG . 27.6 mmt180 -132.91 112.3 11.77 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.448 -0.783 . . . . 0.0 109.208 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 CA-C-O 117.932 -1.482 . . . . 0.0 109.441 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 1' ' ' MET . 1.6 tmt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -8.35 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 108.938 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.4 -35.84 68.49 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.399 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.2 -50.69 72.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.235 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -65.32 -47.07 77.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.71 -19.03 5.39 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.205 -0.935 . . . . 0.0 109.248 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -76.41 -51.6 11.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.006 -1.059 . . . . 0.0 108.639 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -24.29 67.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.66 -55.44 5.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.51 -30.44 67.04 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.9 tpt180 -67.55 -49.2 64.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.87 -18.67 2.04 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.035 0.921 . . . . 0.0 108.758 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.02 -40.24 47.25 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -31.71 69.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.852 -1.155 . . . . 0.0 108.896 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -76.53 -30.97 57.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.02 -1.05 . . . . 0.0 109.185 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 22.4 m-20 -76.2 -12.71 60.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.413 -0.804 . . . . 0.0 110.334 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.54 -26.99 14.61 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.111 -0.993 . . . . 0.0 110.968 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 mtt -92.33 -6.16 50.79 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.876 -1.14 . . . . 0.0 109.633 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -89.1 -5.86 57.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.011 -1.056 . . . . 0.0 109.955 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.36 -48.67 0.96 Allowed Glycine 0 N--CA 1.502 3.059 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.47 120.01 6.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.973 -1.31 . . . . 0.0 108.974 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 16.5 ttm180 -89.11 -38.44 14.34 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.417 -0.802 . . . . 0.0 110.936 -178.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 p -81.6 138.13 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.054 -1.029 . . . . 0.0 110.547 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.7 151.97 35.83 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.424 -0.797 . . . . 0.0 109.271 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -122.5 152.72 40.04 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.417 -0.802 . . . . 0.0 109.791 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 26' ' ' VAL . 11.2 p -146.28 126.48 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.06 115.35 22.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 33.4 ttmt -105.89 145.14 31.65 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -54.63 85.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.941 -1.099 . . . . 0.0 109.419 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 146.84 -46.59 0.73 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HD2' ' H ' ' A' ' 32' ' ' ARG . 19.3 tpt180 -170.9 143.62 2.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -1.231 . . . . 0.0 110.176 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 31' ' ' ARG . 15.4 ptt180 -81.98 146.71 29.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -137.74 140.6 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.171 -0.955 . . . . 0.0 109.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -112.43 125.01 53.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.902 -0.499 . . . . 0.0 110.374 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -127.15 147.89 50.18 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.49 -0.756 . . . . 0.0 109.795 178.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' THR . 70.5 p -96.94 163.0 13.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.558 -1.339 . . . . 0.0 108.107 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -48.25 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.411 -1.431 . . . . 0.0 110.083 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' THR . 58.9 p -60.38 -21.85 62.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.102 -0.999 . . . . 0.0 109.69 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 m -129.1 54.54 1.8 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.534 -0.729 . . . . 0.0 109.59 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.7 p -82.7 -11.62 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.054 -1.029 . . . . 0.0 110.46 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -73.34 -48.47 34.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.646 -1.283 . . . . 0.0 109.964 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' SER . 1.3 p-10 -55.24 -32.25 62.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 109.36 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 43' ' ' LEU . 16.0 tp -67.62 -38.02 83.33 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.671 -1.268 . . . . 0.0 108.544 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -64.69 -46.38 82.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 109.252 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.238 -0.913 . . . . 0.0 110.069 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.64 -51.97 67.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.93 -44.06 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.251 -0.906 . . . . 0.0 109.175 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.56 89.14 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.951 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.71 -27.69 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 110.152 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.8 mt -77.41 -33.23 55.04 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.975 -1.078 . . . . 0.0 110.048 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.37 -31.92 73.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.849 -1.157 . . . . 0.0 108.763 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.42 -28.72 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.339 -0.851 . . . . 0.0 109.069 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -78.99 -30.74 44.51 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 121.252 -0.905 . . . . 0.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.02 24.11 0.79 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.143 -0.973 . . . . 0.0 108.869 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.65 57.27 0.05 OUTLIER Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.6 ttm -78.27 -39.94 38.52 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.17 -1.194 . . . . 0.0 109.668 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.0 p -138.98 -48.93 0.5 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.248 -0.907 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -172.24 -167.07 0.44 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.216 -0.927 . . . . 0.0 109.53 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -170.22 175.66 4.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.258 -0.901 . . . . 0.0 109.61 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -168.87 -49.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -60.36 119.05 7.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 109.356 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.59 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mmm . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.304 0.574 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.4 t -147.43 -43.81 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.255 -0.903 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.62 -36.36 24.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.256 -0.903 . . . . 0.0 109.266 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -33.52 34.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.569 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.81 -49.24 21.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.876 . . . . 0.0 110.108 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.04 -19.6 32.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.018 -1.051 . . . . 0.0 109.693 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.67 -48.89 15.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.942 -1.098 . . . . 0.0 108.917 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.52 -25.31 24.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.807 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.87 -56.26 4.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 109.937 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.83 -30.12 65.5 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -66.57 -49.33 66.76 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -52.67 -19.09 2.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.259 -0.901 . . . . 0.0 108.829 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.95 -38.79 44.48 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.03 69.14 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 118.764 -1.175 . . . . 0.0 108.785 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -76.94 -32.45 57.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.026 -1.047 . . . . 0.0 109.225 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 47.1 m-20 -76.25 -16.48 59.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 0.0 110.422 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -94.84 -23.62 17.4 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.005 -1.059 . . . . 0.0 110.317 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -8.14 48.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.03 -1.044 . . . . 0.0 109.562 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -89.83 -5.13 57.18 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.967 -1.083 . . . . 0.0 110.011 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.21 -49.27 0.9 Allowed Glycine 0 N--CA 1.502 3.092 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -52.27 115.51 1.77 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.977 -1.308 . . . . 0.0 108.738 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.437 ' CG ' ' H ' ' A' ' 37' ' ' ALA . 20.8 ttm180 -86.49 -39.62 16.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.339 -0.85 . . . . 0.0 110.954 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -79.42 134.04 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.919 -1.113 . . . . 0.0 110.577 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -148.85 152.56 36.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.454 -0.779 . . . . 0.0 109.31 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -117.79 152.66 34.86 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.576 -0.703 . . . . 0.0 109.538 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.2 p -145.46 125.66 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.191 -0.943 . . . . 0.0 109.458 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -84.68 115.74 22.83 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' GLY . 46.1 tttm -107.06 145.37 32.46 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.49 85.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.882 -1.136 . . . . 0.0 109.367 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 147.8 -48.42 0.64 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -170.84 146.03 2.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.211 -1.17 . . . . 0.0 110.212 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -83.89 146.93 27.8 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -140.98 145.33 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.034 -1.041 . . . . 0.0 109.406 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 24' ' ' ALA . 2.5 tm-20 -99.67 124.69 45.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.869 -0.519 . . . . 0.0 110.856 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.58 144.58 45.01 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.4 p -109.59 161.96 14.87 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' CG ' ' A' ' 22' ' ' ARG . . . -54.61 -11.75 0.62 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.194 -1.566 . . . . 0.0 110.299 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -62.08 -24.49 67.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.973 . . . . 0.0 109.784 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.46 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 97.9 p -129.1 54.74 1.78 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.468 -0.77 . . . . 0.0 109.814 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.2 p -81.72 -10.89 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 p -72.42 -47.62 47.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.661 -1.275 . . . . 0.0 110.253 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 21.4 p-10 -55.39 -34.87 64.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.8 tp -65.27 -36.06 82.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.68 -1.262 . . . . 0.0 108.536 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -66.51 -44.08 83.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 109.223 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -66.89 -40.61 87.8 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.131 -0.981 . . . . 0.0 109.913 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -59.52 -52.07 67.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 109.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -53.52 -46.65 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.088 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -41.88 71.38 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -58.6 -29.33 66.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.164 -0.96 . . . . 0.0 110.236 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -79.81 -30.75 40.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.904 -1.123 . . . . 0.0 109.979 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.04 -31.26 72.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.99 -30.53 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.102 -0.999 . . . . 0.0 109.509 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -80.52 -37.44 31.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.978 -1.076 . . . . 0.0 109.655 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -92.15 16.86 10.49 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 109.321 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.59 121.84 1.08 Allowed Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.1 ttm -161.47 116.68 2.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.167 -1.196 . . . . 0.0 109.419 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.9 m -164.42 -26.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.418 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -80.5 -177.01 6.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.269 -0.894 . . . . 0.0 109.41 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -170.08 9.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.306 -0.872 . . . . 0.0 109.647 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 62' ' ' GLY . 23.6 mmt180 -66.01 -162.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.951 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 68.74 -36.39 0.32 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.544 -0.723 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.002 -1.444 . . . . 0.0 109.535 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.7 t -51.74 -51.53 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.24 -0.912 . . . . 0.0 109.246 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -50.31 -34.99 25.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.17 -0.957 . . . . 0.0 109.076 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -58.08 -41.65 83.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.351 -0.843 . . . . 0.0 108.975 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.59 -48.62 25.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.95 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.76 -19.81 43.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 109.666 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -77.67 -46.45 21.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.881 -1.137 . . . . 0.0 108.937 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.64 66.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.508 -0.745 . . . . 0.0 110.038 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.29 4.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 110.105 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.85 -29.16 66.74 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.35 -49.74 52.74 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.38 -19.19 3.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.078 -1.014 . . . . 0.0 109.143 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.24 -37.63 32.65 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -65.13 -27.33 68.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.896 -1.127 . . . . 0.0 109.042 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -76.82 -31.83 57.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.171 -0.955 . . . . 0.0 108.614 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -75.48 -34.54 60.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.549 -0.719 . . . . 0.0 110.172 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -75.17 -23.83 57.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.169 -0.957 . . . . 0.0 110.731 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -10.36 49.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.845 -1.16 . . . . 0.0 109.399 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.55 -5.92 50.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.98 -1.075 . . . . 0.0 109.78 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.33 -42.7 1.47 Allowed Glycine 0 N--CA 1.502 3.05 0 N-CA-C 110.349 -1.101 . . . . 0.0 110.349 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 3.7 mptp? -49.67 103.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.998 -1.295 . . . . 0.0 109.053 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -76.32 -46.27 28.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 23' ' ' VAL . 7.3 p -82.99 133.4 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.186 -0.946 . . . . 0.0 110.266 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.56 33.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.344 -0.848 . . . . 0.0 109.031 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.2 m -111.23 154.39 24.5 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.433 -0.792 . . . . 0.0 110.065 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 26' ' ' VAL . 4.1 p -145.57 125.48 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.224 -0.922 . . . . 0.0 109.364 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -86.0 116.38 24.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.508 -0.745 . . . . 0.0 109.013 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 30' ' ' GLY . 51.2 tttm -108.01 145.13 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -55.01 85.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.821 -1.174 . . . . 0.0 109.405 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 148.21 -47.72 0.65 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HD3' ' H ' ' A' ' 32' ' ' ARG . 4.3 tpp180 -171.02 145.69 2.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.19 -1.182 . . . . 0.0 110.078 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' H ' ' HD3' ' A' ' 31' ' ' ARG . 8.2 ptp180 -83.96 146.34 28.06 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.71 145.33 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 120.972 -1.08 . . . . 0.0 109.116 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' CG2' ' A' ' 23' ' ' VAL . 13.6 tt0 -103.57 122.47 45.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.753 -0.592 . . . . 0.0 110.959 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -113.9 144.23 43.39 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 64.8 p -105.11 164.19 12.0 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.53 -11.54 0.21 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.307 -1.496 . . . . 0.0 110.06 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 78.6 p -63.99 -22.19 66.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.046 . . . . 0.0 110.072 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 53.1 p -128.82 53.79 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.361 -0.837 . . . . 0.0 110.14 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.5 p -82.42 -11.7 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.092 -1.005 . . . . 0.0 110.252 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -73.57 -50.08 23.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.666 -1.271 . . . . 0.0 109.968 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p-10 -55.05 -31.3 61.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.308 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.9 tp -69.05 -35.14 76.24 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.746 -1.221 . . . . 0.0 108.349 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -66.27 -47.28 74.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 108.865 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.229 -0.919 . . . . 0.0 109.802 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.42 -52.1 67.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.21 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.5 mt -54.5 -51.71 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 109.025 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -35.43 61.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.601 -0.687 . . . . 0.0 110.328 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.54 -27.1 68.74 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.176 -0.953 . . . . 0.0 110.029 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -83.64 -32.64 25.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.98 -1.075 . . . . 0.0 109.983 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -65.2 -30.86 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.927 -1.108 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.0 t -83.58 -29.51 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.973 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -79.1 -35.75 41.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.109 -0.994 . . . . 0.0 109.64 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -88.85 30.52 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.14 -0.975 . . . . 0.0 109.506 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.72 86.41 0.07 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 58' ' ' GLN . 55.4 mtt -95.68 132.58 40.72 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.319 -1.107 . . . . 0.0 109.456 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 m 58.73 1.91 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.305 -0.872 . . . . 0.0 109.585 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 56' ' ' MET . 26.4 tt0 -65.13 117.96 8.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.957 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.83 -45.75 41.2 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.176 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.84 -149.99 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.4 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.555 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.1 OUTLIER -141.63 49.06 1.61 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.286 -0.884 . . . . 0.0 109.093 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.653 -179.813 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.8 t -147.93 -38.35 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.201 -0.937 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -57.6 -30.04 64.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.1 -38.04 89.63 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.402 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.8 -48.82 28.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.317 -0.864 . . . . 0.0 109.782 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.47 -19.5 15.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.121 -0.987 . . . . 0.0 109.559 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.4 tt -77.92 -49.46 14.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.996 -1.065 . . . . 0.0 109.034 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.97 -24.34 37.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.15 5.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.169 -0.957 . . . . 0.0 109.622 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -60.51 -30.2 69.58 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 4.9 tpt180 -69.21 -50.6 45.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . . . -53.46 -18.22 2.55 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.131 -0.981 . . . . 0.0 108.739 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -79.74 -36.88 36.66 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.575 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -32.83 73.37 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.797 -1.189 . . . . 0.0 109.051 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -76.24 -34.17 59.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 109.491 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 1.7 m-20 -76.53 -14.81 59.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.361 -0.837 . . . . 0.0 110.71 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -93.69 -24.94 17.67 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.826 -1.171 . . . . 0.0 110.542 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mtt -91.11 -6.53 53.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.73 -1.231 . . . . 0.0 109.749 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -89.37 -5.32 57.57 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.921 -1.112 . . . . 0.0 109.749 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.06 -49.7 0.91 Allowed Glycine 0 N--CA 1.503 3.139 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -53.39 108.85 0.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.288 . . . . 0.0 108.977 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 37' ' ' ALA . 21.1 ttm180 -78.48 -46.09 20.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.445 -0.784 . . . . 0.0 110.479 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.93 133.68 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.017 -1.052 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.15 153.32 43.98 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -103.52 149.14 25.14 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.29 -0.881 . . . . 0.0 109.469 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.61 123.87 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.139 -0.976 . . . . 0.0 109.401 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -86.92 116.02 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 30' ' ' GLY . 82.7 tttt -110.83 145.11 38.78 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.57 84.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.881 -1.137 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 150.51 -46.66 0.62 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.569 ' NH1' ' CZ ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -171.25 147.99 2.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.043 -1.269 . . . . 0.0 109.649 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' CZ ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 146.72 31.85 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -142.22 146.38 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 120.956 -1.09 . . . . 0.0 109.452 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -110.55 104.79 13.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.891 -0.506 . . . . 0.0 111.049 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -94.02 141.65 28.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.978 -1.076 . . . . 0.0 108.119 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.4 p -99.55 162.96 12.71 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -54.39 -12.12 0.63 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.205 -1.559 . . . . 0.0 110.376 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.2 p -57.75 -26.62 62.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.128 -0.982 . . . . 0.0 109.933 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 31.1 p -129.61 54.13 1.86 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.392 -0.817 . . . . 0.0 109.943 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 40' ' ' VAL . 3.8 p -79.06 -11.41 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.041 -1.037 . . . . 0.0 110.1 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -72.91 -46.29 53.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.693 -1.254 . . . . 0.0 109.836 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.7 p30 -55.16 -35.21 64.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.099 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 13.8 tp -64.62 -38.7 91.89 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.907 -1.121 . . . . 0.0 108.818 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -64.41 -43.8 93.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.147 -0.971 . . . . 0.0 109.107 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 42' ' ' ASP . 7.6 ttpm? -64.94 -42.29 94.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.241 -0.912 . . . . 0.0 109.661 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.17 -51.82 67.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 0.0 109.21 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.09 -51.56 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.192 -0.942 . . . . 0.0 109.279 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.08 62.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.562 -0.711 . . . . 0.0 110.152 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -28.73 65.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.111 -0.993 . . . . 0.0 110.025 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.6 mt -80.53 -31.39 37.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.88 -1.138 . . . . 0.0 109.976 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.89 -30.27 71.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.964 -1.085 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.38 -29.36 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 0.0 109.159 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -70.43 -31.23 68.33 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 121.093 -1.004 . . . . 0.0 109.505 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 17.73 3.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 108.964 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.14 83.57 0.09 OUTLIER Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 56' ' ' MET . 2.0 mpt? -64.95 90.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -1.155 . . . . 0.0 109.516 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 p -83.26 29.88 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.376 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 59' ' ' ARG . 51.3 tt0 -165.51 112.97 0.96 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.949 . . . . 0.0 109.583 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 58' ' ' GLN . 46.7 ttt180 61.44 136.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.0 109.647 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -165.5 146.33 7.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.203 -0.936 . . . . 0.0 109.403 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.29 -119.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.448 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 t -146.79 -17.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.236 -0.915 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' NH2' ' CD2' ' A' ' 50' ' ' LEU . 50.5 mtp180 -60.51 -19.46 57.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -56.31 -45.61 80.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.879 . . . . 0.0 109.487 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.28 -44.25 72.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.521 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.07 -19.39 43.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.092 -1.005 . . . . 0.0 109.673 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.2 tt -78.14 -49.65 13.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.853 -1.154 . . . . 0.0 109.013 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.61 50.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.86 . . . . 0.0 109.773 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.81 -55.49 5.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.74 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.79 -29.48 66.85 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 13' ' ' ALA . 5.6 tpt180 -68.99 -49.92 53.54 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -18.57 2.05 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.067 0.937 . . . . 0.0 108.633 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -77.5 -42.15 36.76 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -28.0 61.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 118.668 -1.213 . . . . 0.0 108.378 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.238 -0.914 . . . . 0.0 109.292 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.25 -30.32 57.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 110.401 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.33 -23.69 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 110.087 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -12.67 30.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.955 -1.091 . . . . 0.0 109.716 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -90.69 -5.34 55.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.881 -1.137 . . . . 0.0 110.168 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.34 -50.2 0.89 Allowed Glycine 0 N--CA 1.502 3.091 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -51.84 102.03 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.943 -1.328 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -77.84 -42.41 33.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 110.827 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 p -82.39 133.87 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.886 -1.134 . . . . 0.0 110.043 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.41 37.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.362 -0.836 . . . . 0.0 109.081 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 m -105.43 139.28 40.29 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.419 -0.801 . . . . 0.0 109.969 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.2 131.23 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.971 . . . . 0.0 109.056 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 27' ' ' GLN . 10.5 pt20 -82.47 118.37 23.18 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' A' ' 30' ' ' GLY . 49.4 tttm -107.82 145.58 33.42 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -47.5 90.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.856 -1.152 . . . . 0.0 109.558 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . 144.96 -54.51 0.56 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.33 151.87 2.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.816 -1.403 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.55 142.34 51.79 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -144.77 148.29 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -106.85 103.06 12.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.834 -0.541 . . . . 0.0 110.613 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.95 141.79 28.12 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 38' ' ' THR . 72.8 p -100.87 171.52 7.61 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.21 -11.7 0.8 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.739 -1.225 . . . . 0.0 109.604 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' A' ' 36' ' ' THR . 70.2 p -63.66 -25.84 68.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.258 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 52.1 p -127.95 53.81 1.76 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.921 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.1 p -79.82 -11.25 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 110.122 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.0 p -72.48 -46.7 53.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.75 -1.219 . . . . 0.0 109.841 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.79 -36.65 67.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.173 -0.954 . . . . 0.0 109.342 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 15.0 tp -63.44 -36.79 84.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.886 -1.134 . . . . 0.0 108.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -66.31 -44.65 82.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.213 -0.929 . . . . 0.0 109.022 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.83 -42.72 97.57 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.114 -0.991 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -58.64 -51.35 70.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 59.3 mt -55.0 -53.59 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 109.823 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.75 63.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 110.733 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.37 -29.58 66.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 0.0 110.078 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD2' ' NH2' ' A' ' 3' ' ' ARG . 49.6 mt -74.69 -30.25 61.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.892 -1.13 . . . . 0.0 109.836 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -69.42 -32.42 71.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.55 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.95 -28.5 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 109.645 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -78.63 -35.09 45.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.152 -0.967 . . . . 0.0 109.857 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -81.34 13.65 2.83 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.18 -0.95 . . . . 0.0 109.227 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' A' ' 56' ' ' MET . . . 60.11 119.79 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 55' ' ' GLY . 3.6 tpp -150.64 119.38 6.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.129 -1.218 . . . . 0.0 109.007 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.1 p -97.06 -129.59 0.17 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 109.202 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -171.13 -15.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.179 -0.951 . . . . 0.0 109.455 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.0 OUTLIER 55.87 54.65 7.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.531 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -72.53 151.05 42.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 0.0 109.4 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.706 ' H ' ' NE ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -92.42 -50.11 5.8 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.295 -0.878 . . . . 0.0 109.121 179.745 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.021 -1.433 . . . . 0.0 109.582 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 t -59.23 -17.18 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.229 -0.92 . . . . 0.0 109.474 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.59 -32.69 74.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.896 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -58.8 -50.68 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 109.254 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -68.02 -46.05 72.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.352 -0.843 . . . . 0.0 109.609 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.08 -18.97 16.65 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.252 -0.905 . . . . 0.0 109.593 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.7 tt -77.75 -50.4 12.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 108.799 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.31 57.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.274 -0.891 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 -55.01 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.14 -29.83 63.93 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.7 tpt180 -69.8 -50.42 43.23 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -18.13 2.86 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.182 -0.949 . . . . 0.0 108.821 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -78.88 -37.69 39.55 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -31.93 72.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.832 -1.168 . . . . 0.0 108.962 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -76.08 -32.1 59.07 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.026 -1.046 . . . . 0.0 109.378 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.25 -32.42 58.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.33 -0.856 . . . . 0.0 110.223 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 mt -75.54 -25.6 57.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.965 -1.084 . . . . 0.0 110.915 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.1 mtt -91.08 -8.58 48.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.598 -1.314 . . . . 0.0 109.575 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -92.29 -6.06 51.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.045 -1.035 . . . . 0.0 109.702 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' ARG . . . 129.96 -47.74 1.0 Allowed Glycine 0 N--CA 1.502 3.068 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 11.7 mptt -48.98 97.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.945 -1.327 . . . . 0.0 109.172 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' GLY . 30.1 ttm180 -69.76 -49.13 56.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.086 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 m -84.98 133.63 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.032 -1.042 . . . . 0.0 109.856 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.37 148.86 41.93 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.7 m -103.47 142.44 34.25 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.295 -0.878 . . . . 0.0 109.857 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.6 143.17 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.62 ' CD ' ' H ' ' A' ' 27' ' ' GLN . 2.5 mp0 -84.34 98.88 10.27 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -98.21 112.01 24.14 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.321 -0.862 . . . . 0.0 108.722 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.52 26.1 13.9 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.413 -1.429 . . . . 0.0 109.111 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.3 -17.0 50.61 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -88.11 138.99 30.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.102 -1.234 . . . . 0.0 109.269 -179.754 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' NH1' ' A' ' 31' ' ' ARG . 97.0 mtt180 -89.87 131.44 35.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.587 -0.695 . . . . 0.0 109.778 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -144.39 146.92 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.176 -0.952 . . . . 0.0 108.911 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 18.3 mp0 -110.53 102.51 11.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.864 -0.523 . . . . 0.0 111.06 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.23 142.69 27.03 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' THR . 73.8 p -99.25 163.57 12.49 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' H ' ' HG2' ' A' ' 22' ' ' ARG . . . -49.72 -11.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.429 -1.419 . . . . 0.0 110.211 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.2 p -65.58 -27.04 68.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.095 -1.003 . . . . 0.0 109.91 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 92.9 p -121.31 51.64 1.27 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.463 -0.773 . . . . 0.0 109.697 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 40' ' ' VAL . 5.0 p -83.44 -11.77 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.186 -0.946 . . . . 0.0 110.337 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -73.16 -49.14 29.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.615 -1.303 . . . . 0.0 109.755 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.3 p-10 -55.33 -32.54 62.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.0 tp -66.51 -36.36 82.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.705 -1.247 . . . . 0.0 108.497 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -66.46 -44.6 82.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.314 -0.866 . . . . 0.0 109.247 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB3' ' HZ3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -65.02 -41.98 94.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.12 -0.988 . . . . 0.0 109.67 -179.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.97 -52.0 67.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.862 . . . . 0.0 108.956 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.1 mt -55.91 -45.01 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.34 -0.85 . . . . 0.0 109.161 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.55 69.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 0.0 110.285 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.71 -25.92 65.01 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.18 -0.95 . . . . 0.0 109.986 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -84.01 -31.44 25.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.009 -1.057 . . . . 0.0 110.248 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.89 -31.69 71.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.902 -1.124 . . . . 0.0 109.459 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.96 -29.48 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -79.9 -36.7 36.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 109.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -83.36 14.69 3.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 0.0 109.498 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.99 -26.39 53.31 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.7 ttp -76.81 109.99 11.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.424 -1.045 . . . . 0.0 109.21 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.0 p -151.57 -171.31 3.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.219 -0.926 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -98.98 -142.67 0.32 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.4 -0.813 . . . . 0.0 109.086 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -170.4 141.7 2.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.075 -1.016 . . . . 0.0 109.484 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -63.07 124.54 21.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.453 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.576 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.1 OUTLIER -66.8 -169.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.424 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.014 -1.437 . . . . 0.0 109.593 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.302 0.572 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.72 -34.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.482 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -54.71 -20.84 9.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.314 -0.866 . . . . 0.0 109.441 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.76 -42.15 86.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.281 -0.887 . . . . 0.0 109.438 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -72.61 -37.1 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.34 -0.85 . . . . 0.0 109.923 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -67.6 -20.36 65.36 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.164 -0.96 . . . . 0.0 109.411 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.6 tt -77.75 -49.99 13.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.892 -1.13 . . . . 0.0 108.993 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.38 -24.3 54.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 0.0 109.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.78 -55.24 5.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 109.576 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.4 -28.86 65.6 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.41 -50.2 34.26 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.97 -18.81 2.17 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.159 0.98 . . . . 0.0 108.492 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.22 -41.94 47.62 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -30.58 64.44 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.557 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -76.99 -32.53 57.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.034 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.39 -25.84 54.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.494 -0.753 . . . . 0.0 110.459 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.2 mt -84.7 -23.36 29.39 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.052 -1.03 . . . . 0.0 110.409 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -8.12 49.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.014 -1.054 . . . . 0.0 109.873 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -90.34 -4.87 56.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.897 -1.127 . . . . 0.0 110.014 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.82 -50.16 0.87 Allowed Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.49 110.18 0.48 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.975 -1.309 . . . . 0.0 108.491 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 23' ' ' VAL . 12.2 ptp180 -83.2 -41.59 18.24 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.332 -0.855 . . . . 0.0 110.932 -178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.5 p -79.44 134.23 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.973 -1.08 . . . . 0.0 110.112 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.93 43.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.525 -0.735 . . . . 0.0 109.247 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -104.05 151.5 23.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.342 -0.849 . . . . 0.0 109.599 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.0 p -146.65 131.05 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.042 -1.036 . . . . 0.0 110.207 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -83.83 118.79 24.18 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -137.07 121.97 18.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 0.8 OUTLIER 49.23 52.68 13.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.264 -1.522 . . . . 0.0 109.393 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.88 39.95 26.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -149.48 133.76 17.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.179 -1.189 . . . . 0.0 109.229 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -90.4 145.03 25.26 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.588 0.709 . . . . 0.0 111.217 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.6 t -143.59 145.86 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -112.2 102.31 10.5 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.821 -0.55 . . . . 0.0 111.029 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.7 145.34 25.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.92 -1.112 . . . . 0.0 108.155 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.5 p -108.89 172.22 6.97 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -11.88 18.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.711 -1.243 . . . . 0.0 109.811 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 p -57.55 -25.27 59.68 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.195 -0.941 . . . . 0.0 110.21 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 3.9 t -133.46 55.61 1.89 Allowed 'General case' 0 N--CA 1.514 2.76 0 O-C-N 121.269 -0.894 . . . . 0.0 110.123 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.4 p -75.01 -11.31 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.981 -1.074 . . . . 0.0 109.651 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -72.58 -45.81 57.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.837 -1.164 . . . . 0.0 109.898 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 2.6 p30 -55.73 -36.07 66.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.0 109.311 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 16.1 tp -64.84 -35.2 80.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.835 -1.166 . . . . 0.0 108.68 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -66.66 -41.49 88.13 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.301 -0.874 . . . . 0.0 109.554 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -39.29 74.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.014 -1.054 . . . . 0.0 109.898 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -61.74 -45.12 95.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.198 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 66.1 mt -57.19 -53.88 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.17 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.88 61.9 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.448 -0.783 . . . . 0.0 110.143 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.92 -29.17 66.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 109.901 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.99 -31.29 61.39 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.978 -1.076 . . . . 0.0 109.677 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -66.39 -29.77 70.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.061 -1.024 . . . . 0.0 109.379 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -84.51 -28.85 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 109.249 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.81 -32.89 46.49 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.312 -0.867 . . . . 0.0 109.74 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -88.99 22.87 2.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.17 23.03 0.27 Allowed Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.4 tpp -62.9 91.63 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -1.17 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -153.24 -89.9 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.243 -0.911 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -152.81 -175.38 5.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 109.378 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.01 -163.78 0.38 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.29 -0.881 . . . . 0.0 109.691 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' A' ' 60' ' ' ARG . 3.8 mtt-85 -63.5 159.72 17.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.893 . . . . 0.0 109.469 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 52.65 70.38 0.58 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.288 -0.883 . . . . 0.0 109.498 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 t -69.9 -23.72 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.893 . . . . 0.0 109.559 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -60.91 -29.03 69.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 109.488 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -69.15 -51.05 42.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.279 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -71.19 -39.6 71.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.618 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.96 -19.19 65.85 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.222 -0.924 . . . . 0.0 109.265 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.33 -48.95 18.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.876 -1.14 . . . . 0.0 108.961 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.16 -23.84 66.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.77 . . . . 0.0 109.627 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.65 5.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.313 -0.867 . . . . 0.0 110.033 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.14 -29.33 67.33 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' C ' ' N ' ' A' ' 13' ' ' ALA . 6.4 tpt180 -68.43 -50.02 55.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.01 -18.45 2.02 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.195 -0.941 . . . . 0.0 108.539 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -76.83 -41.4 44.36 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -30.08 64.75 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.495 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -77.08 -32.28 56.6 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.197 -0.939 . . . . 0.0 109.069 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.35 -27.87 56.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.54 -0.725 . . . . 0.0 110.419 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.0 -23.45 33.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.045 -1.034 . . . . 0.0 110.423 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -8.16 46.99 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.954 -1.091 . . . . 0.0 110.09 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.01 -4.9 57.17 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.753 -1.217 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.19 -50.0 0.88 Allowed Glycine 0 N--CA 1.501 3.03 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -53.78 116.76 2.69 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.246 . . . . 0.0 108.181 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.559 HH11 ' CG ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -89.84 -35.06 15.87 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.126 -0.984 . . . . 0.0 111.311 -178.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.1 p -83.9 134.23 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.664 -1.272 . . . . 0.0 110.02 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.33 152.51 44.48 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.43 -0.794 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -106.52 144.1 33.69 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.373 -0.829 . . . . 0.0 109.7 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.06 133.56 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.954 -1.091 . . . . 0.0 109.568 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.419 HE22 ' HG3' ' A' ' 32' ' ' ARG . 4.1 mm100 -82.93 118.83 23.74 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' A' ' 46' ' ' TYR . 50.7 tttp -136.24 126.16 25.9 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.273 -0.892 . . . . 0.0 109.821 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.3 t70 50.39 54.7 10.68 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.331 -1.48 . . . . 0.0 109.547 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.27 32.43 5.13 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -147.93 133.06 18.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.187 -1.184 . . . . 0.0 109.249 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG3' HE22 ' A' ' 27' ' ' GLN . 84.7 mtm180 -87.05 145.1 26.6 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.9 t -144.55 148.05 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -116.61 102.6 9.6 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.809 -0.557 . . . . 0.0 111.151 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -94.27 141.66 28.3 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.4 p -100.87 171.6 7.56 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.14 -11.56 0.73 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.78 -1.2 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -65.03 -24.08 67.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 109.901 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.424 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 60.4 p -125.6 53.3 1.57 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.407 -0.808 . . . . 0.0 109.679 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -83.37 -12.69 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -0.961 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -73.3 -49.81 25.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.563 -1.336 . . . . 0.0 109.698 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.4 p-10 -55.44 -31.61 62.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.7 tp -65.58 -37.55 86.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.71 -1.244 . . . . 0.0 108.224 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -65.06 -46.36 81.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.923 . . . . 0.0 109.365 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -64.15 -41.95 96.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.901 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' NZ ' ' A' ' 28' ' ' LYS . 52.8 t80 -57.94 -52.04 67.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.7 -48.31 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 0.0 109.347 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.43 -44.41 68.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.521 -0.737 . . . . 0.0 110.504 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.17 -29.44 65.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.141 -0.975 . . . . 0.0 110.328 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD23 ' NE2' ' A' ' 53' ' ' GLN . 17.2 mt -79.58 -32.02 41.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.789 -1.195 . . . . 0.0 109.804 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.19 -30.24 71.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.077 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.3 t -78.84 -29.72 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 0.0 109.304 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' NE2' HD23 ' A' ' 50' ' ' LEU . 42.3 mt-30 -71.85 -36.97 70.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.123 -0.985 . . . . 0.0 109.399 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 56' ' ' MET . 7.2 p -105.2 21.53 16.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.384 -0.823 . . . . 0.0 109.144 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 56' ' ' MET . . . 62.92 -75.86 0.03 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 54' ' ' THR . 4.9 tpp 58.94 158.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -1.103 . . . . 0.0 109.332 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 56' ' ' MET . 69.3 p 47.83 65.14 1.37 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.865 . . . . 0.0 109.635 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -169.76 131.75 1.11 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.441 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -171.11 151.89 3.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.38 -0.825 . . . . 0.0 109.447 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -169.8 53.42 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.368 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.574 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.5 mtt-85 50.48 71.1 0.44 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.216 -0.928 . . . . 0.0 109.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.561 -179.977 . . . . . . . . 0 0 . 1 stop_ save_