data_2jpn_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 2jpn _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 ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.79 -37.24 56.17 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.574 1.55 . . . . 0.0 113.152 159.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.13 -40.86 59.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.181 1.792 . . . . 0.0 113.551 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.97 -34.76 72.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.148 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.36 8.7 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 C-N-CA 126.958 2.103 . . . . 0.0 110.747 -155.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.91 -38.39 79.54 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.425 1.89 . . . . 0.0 113.653 -167.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.43 -27.42 1.56 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.504 1.521 . . . . 0.0 114.084 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -48.42 81.86 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 125.892 1.677 . . . . 0.0 112.769 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.5 mmm -58.44 -30.92 67.29 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 119.908 -1.745 . . . . 0.0 112.266 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.89 57.41 Favored Glycine 0 C--O 1.218 -0.9 0 C-N-CA 124.676 1.131 . . . . 0.0 112.112 168.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 1.1 ptmt -69.22 -43.2 74.56 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.974 1.709 . . . . 0.0 108.262 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 pt -69.98 -41.79 79.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.326 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 166.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.81 -22.4 66.61 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.048 1.295 . . . . 0.0 111.938 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -104.64 12.38 33.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.676 1.99 . . . . 0.0 113.069 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' SG ' HD13 ' A' ' 68' ' ' LEU . 30.1 p -69.7 -21.57 63.49 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 119.783 -1.823 . . . . 0.0 113.977 -165.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 61.51 -5.93 0.13 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 130.176 3.39 . . . . 0.0 116.831 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -153.83 137.22 15.81 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.727 1.611 . . . . 0.0 107.238 -169.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 -36.55 76.62 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 117.819 -1.553 . . . . 0.0 109.549 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.6 -36.84 77.09 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 126.232 1.813 . . . . 0.0 111.466 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -41.7 48.12 Favored Glycine 0 C--O 1.214 -1.145 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 164.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.65 -39.2 79.92 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 119.89 1.845 . . . . 0.0 113.807 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.73 -32.76 74.58 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 129.918 3.287 . . . . 0.0 114.458 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.2 -38.8 63.49 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.756 1.223 . . . . 0.0 111.27 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.58 -37.09 82.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.488 1.515 . . . . 0.0 109.195 167.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.95 -39.42 76.06 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 125.269 1.427 . . . . 0.0 112.228 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.38 78.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.587 170.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -33.84 76.36 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.588 1.085 . . . . 0.0 112.98 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -59.59 -50.39 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.935 2.094 . . . . 0.0 108.437 167.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.3 mmpt? -69.35 -34.66 74.92 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -62.66 -43.76 97.99 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.811 2.844 . . . . 0.0 112.461 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -69.14 -47.91 63.82 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.583 1.553 . . . . 0.0 114.763 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 CA--C 1.544 0.714 0 O-C-N 120.142 -1.599 . . . . 0.0 114.775 -149.378 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.042 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -62.76 -45.3 93.34 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 117.336 -3.353 . . . . 0.0 115.998 154.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -59.7 -48.55 81.24 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.42 1.088 . . . . 0.0 113.272 -161.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -60.85 -44.62 96.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.12 -46.53 77.24 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.102 -163.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.5 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 175.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -49.87 68.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.73 1.252 . . . . 0.0 112.055 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -45.97 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 113.059 -1.882 . . . . 0.0 112.835 175.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -65.03 -42.25 94.53 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 119.958 1.254 . . . . 0.0 110.714 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.0 -29.93 70.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.461 -173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.63 -44.68 63.93 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 129.538 3.135 . . . . 0.0 116.614 167.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.36 -51.65 34.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.426 2.29 . . . . 0.0 110.016 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.65 70.64 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 162.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.91 -55.58 25.06 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 128.157 2.789 . . . . 0.0 109.985 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -69.79 -34.74 74.13 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 127.063 2.145 . . . . 0.0 112.868 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -56.5 -48.06 77.96 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.808 -1.183 . . . . 0.0 109.752 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.18 75.03 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.25 -47.66 70.07 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 123.483 1.611 . . . . 0.0 110.096 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 HD13 ' SG ' ' A' ' 27' ' ' CYS . 16.4 mt -67.61 -31.84 72.14 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 111.951 -2.386 . . . . 0.0 115.502 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.32 -31.65 60.68 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 130.232 3.413 . . . . 0.0 111.579 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -66.26 -28.56 68.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.777 157.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -93.54 23.77 4.42 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.488 1.439 0 C-N-CA 127.792 2.437 . . . . 0.0 115.394 -173.165 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.56 -25.83 54.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.343 1.457 . . . . 0.0 114.142 159.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.05 79.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.618 1.967 . . . . 0.0 113.755 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.92 -30.91 68.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.66 2.384 . . . . 0.0 113.71 -160.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.252 0.4 OUTLIER -134.98 13.7 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.928 2.491 . . . . 0.0 110.469 -156.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.51 -17.91 26.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.03 1.732 . . . . 0.0 114.532 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -130.45 -59.6 1.02 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.731 1.213 . . . . 0.0 113.659 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -57.38 -46.54 83.31 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.509 1.124 . . . . 0.0 112.287 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.6 mmm -58.48 -35.92 72.95 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.032 1.333 . . . . 0.0 112.504 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.8 57.04 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 123.861 0.743 . . . . 0.0 111.322 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 23' ' ' LYS 0.278 0.1 OUTLIER -62.0 -43.26 99.22 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 124.686 1.194 . . . . 0.0 109.518 -178.285 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -71.44 -42.03 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 167.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.96 -22.17 66.81 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.09 0.859 . . . . 0.0 110.624 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.29 12.5 21.68 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.193 2.197 . . . . 0.0 114.3 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 68' ' ' LEU . 27.8 p -65.39 -19.15 65.82 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 120.238 -1.539 . . . . 0.0 113.995 -169.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 58.97 -6.91 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 131.855 4.062 . . . . 0.0 116.856 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -153.88 139.5 17.88 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 125.855 1.662 . . . . 0.0 107.41 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -35.61 74.43 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 123.352 1.548 . . . . 0.0 109.727 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.64 -35.02 76.72 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 126.214 1.806 . . . . 0.0 111.271 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.9 -42.56 44.91 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 118.518 -1.156 . . . . 0.0 115.981 163.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -58.66 -39.32 80.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 120.37 2.085 . . . . 0.0 113.76 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.52 -33.09 74.81 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 129.533 3.133 . . . . 0.0 114.172 169.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.41 -38.68 63.0 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.67 1.188 . . . . 0.0 111.454 168.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.62 -37.21 83.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.483 1.513 . . . . 0.0 110.013 167.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.13 -44.71 79.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.396 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.74 77.63 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.345 170.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.5 73.78 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.496 -1.377 . . . . 0.0 112.291 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.7 -56.14 25.57 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.619 1.567 . . . . 0.0 109.503 167.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.1 mmpt? -59.88 -36.17 76.36 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.946 -1.096 . . . . 0.0 113.67 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.9 -36.89 83.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 129.573 3.149 . . . . 0.0 113.126 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -70.49 -48.52 55.33 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 156.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 119.594 -1.941 . . . . 0.0 115.357 -168.157 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.92 -39.62 92.66 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.462 -0.774 . . . . 0.0 111.959 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.4 m -59.49 -48.45 81.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.056 1.742 . . . . 0.0 113.426 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.85 -45.34 94.88 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -62.05 -46.47 88.99 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 124.083 0.864 . . . . 0.0 111.327 -166.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -46.56 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 122.442 1.115 . . . . 0.0 112.308 -177.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.83 69.35 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.897 -1.501 . . . . 0.0 112.513 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -46.09 82.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 113.746 -1.57 . . . . 0.0 113.523 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.95 -37.29 78.75 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 119.686 1.13 . . . . 0.0 110.57 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.5 -30.0 68.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 112.048 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.75 67.86 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.528 3.131 . . . . 0.0 115.681 167.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.6 -51.68 26.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.319 2.248 . . . . 0.0 110.081 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.7 69.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 161.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.4 35.13 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 128.253 2.835 . . . . 0.0 110.159 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -69.67 -34.73 74.38 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 127.269 2.228 . . . . 0.0 112.474 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -56.07 -49.47 73.7 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 120.973 -1.08 . . . . 0.0 109.972 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.14 71.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.16 -47.74 70.12 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.302 1.525 . . . . 0.0 110.087 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 HD11 ' SG ' ' A' ' 27' ' ' CYS 0.254 16.4 mt -67.49 -32.54 73.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.435 -178.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 129.463 3.105 . . . . 0.0 110.945 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.06 -31.96 69.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.004 159.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -74.51 -33.1 62.71 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.095 1.426 . . . . 0.0 114.206 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 131.435 3.894 . . . . 0.0 114.593 -167.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -76.67 -25.82 54.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.718 1.207 . . . . 0.0 113.634 157.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.18 94.25 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.541 1.536 . . . . 0.0 113.57 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 m -59.26 -33.02 70.54 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 111.809 -2.45 . . . . 0.0 113.351 -153.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.12 2.81 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 127.618 2.367 . . . . 0.0 111.164 -157.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.56 -30.37 65.8 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.0 1.72 . . . . 0.0 113.486 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.3 -41.35 0.89 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.227 1.411 . . . . 0.0 114.255 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -48.97 77.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.185 2.194 . . . . 0.0 112.924 -174.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.9 mmm -58.51 -30.53 67.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 119.855 -1.778 . . . . 0.0 112.353 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.94 54.17 Favored Glycine 0 C--O 1.221 -0.712 0 C-N-CA 125.077 1.322 . . . . 0.0 111.146 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 23' ' ' LYS 0.281 0.9 OUTLIER -65.74 -43.18 89.74 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.952 1.701 . . . . 0.0 107.914 -173.624 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -71.49 -42.52 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 116.982 2.216 . . . . 0.0 116.982 165.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.24 66.76 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.936 1.243 . . . . 0.0 111.237 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.0 12.44 22.09 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.39 2.276 . . . . 0.0 113.901 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 68' ' ' LEU . 30.7 p -63.44 -20.04 65.23 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.57 -5.97 0.05 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 131.246 3.818 . . . . 0.0 117.112 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.92 139.29 17.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.147 1.779 . . . . 0.0 107.533 -168.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -34.49 72.08 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 123.534 1.635 . . . . 0.0 109.699 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -61.8 -36.15 80.28 Favored 'General case' 0 N--CA 1.421 -1.91 0 C-N-CA 126.862 2.065 . . . . 0.0 110.923 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.21 46.48 Favored Glycine 0 C--O 1.212 -1.242 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 163.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.81 -38.03 77.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 120.178 1.989 . . . . 0.0 113.604 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.58 -33.04 74.97 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 129.721 3.208 . . . . 0.0 113.9 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.36 -38.91 63.08 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.588 1.155 . . . . 0.0 111.519 169.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.6 -38.46 87.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.519 1.528 . . . . 0.0 109.652 167.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -65.86 -43.69 87.68 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.184 1.394 . . . . 0.0 112.033 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.7 77.39 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.113 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.24 74.91 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.59 -1.319 . . . . 0.0 111.54 -175.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -56.26 24.16 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.354 1.862 . . . . 0.0 109.968 169.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.2 mmpt? -60.59 -37.54 81.71 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -67.1 -42.04 85.25 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.004 2.921 . . . . 0.0 112.085 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -70.37 -44.99 66.95 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 127.064 2.145 . . . . 0.0 113.686 -171.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.487 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.681 0.753 . . . . 0.0 112.778 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.21 -36.44 81.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -62.92 -44.57 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.9 1.68 . . . . 0.0 113.181 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.39 -47.22 86.81 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.091 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.4 -46.59 89.45 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.408 -162.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -46.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 173.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -49.67 69.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 123.003 1.382 . . . . 0.0 110.401 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -46.02 82.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 112.163 -2.289 . . . . 0.0 114.279 172.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.95 1.705 . . . . 0.0 112.07 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.07 -28.3 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.026 0.917 . . . . 0.0 111.151 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.5 65.35 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 129.299 3.039 . . . . 0.0 116.619 166.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.03 -51.54 31.29 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 127.826 2.45 . . . . 0.0 109.789 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.65 69.71 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 161.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.68 -56.29 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 128.202 2.81 . . . . 0.0 110.203 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -69.83 -34.64 73.93 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.245 2.218 . . . . 0.0 113.221 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -55.95 -48.46 75.72 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.608 -1.308 . . . . 0.0 109.867 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.17 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.1 -47.67 70.49 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 122.978 1.37 . . . . 0.0 109.918 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD12 ' SG ' ' A' ' 27' ' ' CYS . 16.1 mt -67.53 -32.56 73.43 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 112.306 -2.225 . . . . 0.0 115.126 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.12 -32.06 61.29 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 130.124 3.37 . . . . 0.0 111.657 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.11 -13.09 61.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.336 1.454 . . . . 0.0 111.9 158.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -116.1 33.84 5.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.629 1.172 . . . . 0.0 113.886 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.488 1.455 0 C-N-CA 128.391 2.677 . . . . 0.0 116.305 -167.732 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 CA--C 1.554 1.123 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -77.06 -45.88 25.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.559 1.544 . . . . 0.0 113.422 159.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.5 12.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 126.57 1.948 . . . . 0.0 114.656 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -58.79 -28.08 65.63 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.543 2.737 . . . . 0.0 111.894 -174.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.59 13.22 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 129.004 2.922 . . . . 0.0 111.13 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -99.89 -6.15 27.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.47 1.908 . . . . 0.0 114.48 -175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.71 -63.57 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.398 1.479 . . . . 0.0 112.791 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -59.45 -44.19 93.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.728 1.211 . . . . 0.0 112.866 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.1 mmm -58.39 -35.29 71.79 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.626 -1.296 . . . . 0.0 113.048 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -38.93 55.01 Favored Glycine 0 C--O 1.216 -0.98 0 C-N-CA 124.097 0.856 . . . . 0.0 111.546 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.258 0.1 OUTLIER -65.03 -43.29 92.88 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.808 1.304 . . . . 0.0 109.118 -175.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -71.33 -41.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.24 67.49 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.812 -1.18 . . . . 0.0 112.392 174.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -102.35 12.11 37.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.794 2.038 . . . . 0.0 113.149 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 68' ' ' LEU . 29.8 p -70.79 -19.4 62.69 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 119.562 -1.961 . . . . 0.0 114.117 -164.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.12 -6.11 0.19 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 130.311 3.445 . . . . 0.0 116.247 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.89 138.28 16.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 125.975 1.71 . . . . 0.0 107.409 -170.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -35.6 74.52 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.337 -1.345 . . . . 0.0 109.317 175.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -62.35 -35.47 79.21 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 125.496 1.518 . . . . 0.0 111.459 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -40.82 50.7 Favored Glycine 0 C--O 1.212 -1.271 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 164.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.68 -40.6 84.03 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 120.241 2.021 . . . . 0.0 113.864 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.17 -33.36 74.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 130.146 3.378 . . . . 0.0 114.411 168.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.3 -40.0 62.55 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.661 1.184 . . . . 0.0 111.427 168.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.58 -37.11 82.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.6 1.56 . . . . 0.0 109.402 168.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.07 -44.94 78.83 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.356 1.062 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.44 70.02 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.278 171.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -32.19 73.36 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 120.805 -1.184 . . . . 0.0 112.766 -176.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -59.31 -56.39 22.64 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.605 1.962 . . . . 0.0 109.37 166.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.5 mmpt? -61.6 -35.8 78.89 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.018 -1.051 . . . . 0.0 113.593 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -66.47 -35.15 79.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.955 3.302 . . . . 0.0 113.029 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -69.69 -44.83 69.64 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 125.001 1.32 . . . . 0.0 113.348 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' N ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.47 -40.27 65.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.561 1.172 . . . . 0.0 109.979 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.7 m -60.09 -42.79 95.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.516 ' N ' ' HG ' ' A' ' 16' ' ' SER 0.254 0.0 OUTLIER -65.83 -50.47 64.51 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.629 2.013 . . . . 0.0 109.044 165.103 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.1 -46.55 77.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -154.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -46.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 122.808 1.289 . . . . 0.0 111.913 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -49.57 70.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.395 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -45.8 83.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 113.31 -1.768 . . . . 0.0 112.559 176.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -33.43 74.84 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 121.165 1.802 . . . . 0.0 111.574 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.42 -33.4 75.62 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.86 68.71 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 130.347 3.459 . . . . 0.0 115.182 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.82 -51.51 47.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.923 2.089 . . . . 0.0 110.162 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.28 -30.6 68.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.365 162.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.44 36.72 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 128.066 2.746 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -69.7 -34.8 74.4 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 126.115 1.766 . . . . 0.0 114.1 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -55.8 -47.52 76.99 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.469 -1.394 . . . . 0.0 109.973 -170.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.2 76.22 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.23 -47.75 69.85 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.02 1.391 . . . . 0.0 110.118 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 HD13 ' SG ' ' A' ' 27' ' ' CYS . 15.3 mt -67.66 -31.9 72.2 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 111.855 -2.429 . . . . 0.0 115.515 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 129.741 3.216 . . . . 0.0 111.945 173.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -20.07 63.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.32 1.048 . . . . 0.0 110.974 158.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -104.37 24.64 11.26 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 126.025 1.73 . . . . 0.0 114.412 -171.138 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.95 -37.37 55.42 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.162 1.785 . . . . 0.0 112.631 164.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.41 1.54 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.023 2.529 . . . . 0.0 115.243 172.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -59.04 -32.46 69.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.129 2.572 . . . . 0.0 113.133 -169.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.12 5.96 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 127.992 2.517 . . . . 0.0 110.527 -157.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.02 -29.51 65.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.27 1.828 . . . . 0.0 114.085 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.29 -38.69 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.239 1.416 . . . . 0.0 114.128 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -47.01 83.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.34 2.256 . . . . 0.0 113.738 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.2 mmm -58.44 -31.13 67.47 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 119.687 -1.883 . . . . 0.0 111.887 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.16 -39.01 54.05 Favored Glycine 0 C--O 1.224 -0.503 0 C-N-CA 125.094 1.33 . . . . 0.0 112.27 169.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 1.0 OUTLIER -67.62 -43.18 81.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 125.664 1.586 . . . . 0.0 107.754 -173.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -41.51 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 168.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.19 66.95 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.518 -1.364 . . . . 0.0 112.106 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -102.83 12.3 36.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.798 2.439 . . . . 0.0 112.867 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' SG ' HD12 ' A' ' 68' ' ' LEU . 29.2 p -69.64 -22.15 63.49 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 120.091 -1.631 . . . . 0.0 113.336 -165.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 61.13 -6.77 0.1 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 131.197 3.799 . . . . 0.0 116.899 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 p -154.01 139.23 17.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 126.131 1.772 . . . . 0.0 107.501 -169.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.24 -36.48 74.52 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.43 -1.708 . . . . 0.0 109.351 175.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -60.94 -37.14 81.33 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 126.196 1.798 . . . . 0.0 111.368 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -40.87 51.05 Favored Glycine 0 C--O 1.213 -1.159 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 164.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.77 -40.32 83.58 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 120.574 2.187 . . . . 0.0 113.422 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 129.877 3.271 . . . . 0.0 114.075 169.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.9 -39.33 63.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.583 1.153 . . . . 0.0 111.712 167.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.64 -37.3 83.51 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.113 1.365 . . . . 0.0 109.322 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -68.22 -42.16 80.19 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 125.204 1.401 . . . . 0.0 112.227 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.58 74.83 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.913 169.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -32.38 73.62 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 119.74 1.155 . . . . 0.0 111.546 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.54 -56.36 22.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.052 2.141 . . . . 0.0 108.318 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 1.3 mmpm? -62.05 -38.51 89.0 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -67.06 -49.27 65.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 128.803 2.841 . . . . 0.0 112.645 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.37 -40.68 73.85 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.467 0.419 0 O-C-N 119.255 -2.153 . . . . 0.0 116.203 -163.368 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -54.35 -41.59 69.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.26 -1.525 . . . . 0.0 111.902 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -59.79 -48.46 81.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.29 -46.08 90.36 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.677 1.58 . . . . 0.0 109.595 174.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -46.44 85.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.223 0.952 . . . . 0.0 111.909 -160.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.54 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.72 70.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 122.635 1.207 . . . . 0.0 111.795 -172.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -45.62 83.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.929 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -64.38 -42.08 96.34 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.108 0.867 . . . . 0.0 111.152 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.25 -29.39 69.62 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.42 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.24 67.19 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 129.435 3.094 . . . . 0.0 116.95 166.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.43 -51.75 33.34 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 127.649 2.38 . . . . 0.0 109.861 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.53 69.03 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.7 -55.43 28.9 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 128.211 2.815 . . . . 0.0 109.803 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.256 5.0 tptt -69.84 -34.58 73.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 126.69 1.996 . . . . 0.0 112.785 175.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -55.9 -48.11 76.21 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 120.744 -1.223 . . . . 0.0 110.046 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.18 75.29 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -67.27 -47.66 70.02 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 123.303 1.525 . . . . 0.0 110.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' SG ' ' A' ' 27' ' ' CYS . 16.7 mt -67.51 -32.38 73.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 112.042 -2.344 . . . . 0.0 115.425 -177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.14 -31.78 61.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 130.114 3.366 . . . . 0.0 111.817 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -19.73 63.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.125 158.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -103.78 25.58 9.65 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.086 0.954 . . . . 0.0 113.548 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 125.659 1.584 . . . . 0.0 114.471 -175.286 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.88 -43.28 36.47 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.387 1.475 . . . . 0.0 113.309 156.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.22 -34.57 57.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.642 1.977 . . . . 0.0 113.968 -172.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 53' ' ' ASP . 1.5 m -58.95 -31.44 68.7 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.677 2.791 . . . . 0.0 113.297 -170.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.258 0.4 OUTLIER -128.07 16.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 C-N-CA 127.781 2.432 . . . . 0.0 110.468 -161.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -86.44 -24.33 25.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.995 1.718 . . . . 0.0 114.611 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -134.13 -54.2 0.86 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -57.26 -40.77 78.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.815 1.188 . . . . 0.0 112.3 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 mmm -58.63 -36.67 74.45 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.666 1.986 . . . . 0.0 113.313 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.27 -39.02 53.14 Favored Glycine 0 C--O 1.224 -0.501 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -56.14 -48.2 76.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.961 2.104 . . . . 0.0 108.528 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -71.69 -46.24 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 174.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -21.86 66.51 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.9 t -110.48 12.23 22.95 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 126.969 2.108 . . . . 0.0 113.413 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.474 ' SG ' HD12 ' A' ' 68' ' ' LEU . 22.5 p -68.86 -22.07 64.23 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.506 -1.996 . . . . 0.0 113.846 -167.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.63 -3.74 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 130.28 3.432 . . . . 0.0 116.111 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 p -153.88 140.41 18.82 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 126.396 1.879 . . . . 0.0 107.376 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -36.25 71.09 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 117.581 -1.647 . . . . 0.0 109.767 175.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.44 -36.29 75.65 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 126.27 1.828 . . . . 0.0 111.028 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.17 -41.57 46.58 Favored Glycine 0 C--O 1.214 -1.111 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 165.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.8 -38.51 78.76 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.141 1.971 . . . . 0.0 113.851 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 -32.69 74.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 129.769 3.227 . . . . 0.0 114.031 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.48 -41.8 65.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.325 1.05 . . . . 0.0 110.02 168.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.69 -37.19 83.21 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.626 1.57 . . . . 0.0 109.7 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -67.49 -45.07 76.93 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.403 1.081 . . . . 0.0 111.387 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.89 -48.93 76.84 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.162 171.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.05 73.25 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.955 -1.09 . . . . 0.0 111.901 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.54 -56.35 23.06 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.991 2.116 . . . . 0.0 109.023 169.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 2.1 mmpt? -60.52 -38.67 85.15 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -66.92 -46.52 74.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 129.54 3.136 . . . . 0.0 112.998 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -70.3 -43.96 69.28 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 119.513 1.051 . . . . 0.0 113.499 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -162.293 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.33 -42.68 78.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 119.766 -1.834 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.96 -43.38 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.845 1.658 . . . . 0.0 115.198 -170.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.25 -47.31 74.17 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 120.765 1.621 . . . . 0.0 108.79 172.293 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.03 -46.41 89.3 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.54 1.15 . . . . 0.0 111.81 -153.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -46.3 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.95 1.7 . . . . 0.0 113.965 176.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -49.22 71.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 123.029 1.395 . . . . 0.0 110.136 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -45.9 83.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 112.628 -2.078 . . . . 0.0 110.334 174.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -61.04 -35.13 76.09 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 122.092 2.224 . . . . 0.0 113.955 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.01 -34.75 77.09 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.91 64.24 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 129.542 3.137 . . . . 0.0 115.686 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.74 -51.79 25.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.731 2.812 . . . . 0.0 110.425 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.33 -30.69 69.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 160.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.07 -57.0 16.16 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 129.326 3.346 . . . . 0.0 109.258 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -69.77 -34.64 74.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.881 2.072 . . . . 0.0 112.803 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -56.03 -48.94 75.02 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 120.639 -1.288 . . . . 0.0 109.617 -173.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.41 -36.2 73.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.07 -47.73 70.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 123.73 1.728 . . . . 0.0 110.152 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.474 HD12 ' SG ' ' A' ' 27' ' ' CYS 0.26 17.4 mt -67.55 -32.73 73.7 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.325 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.25 -31.44 60.8 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 130.46 3.504 . . . . 0.0 112.137 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.27 -28.68 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.079 157.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -91.36 19.05 6.38 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.481 1.115 0 C-N-CA 126.041 1.736 . . . . 0.0 114.243 -170.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.92 -34.13 59.89 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.122 1.769 . . . . 0.0 112.546 160.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.51 73.91 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.362 2.265 . . . . 0.0 114.503 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.01 -28.78 66.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.048 2.139 . . . . 0.0 114.328 -162.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 5.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.731 2.412 . . . . 0.0 110.2 -154.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.42 -31.32 69.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.331 1.853 . . . . 0.0 113.699 -167.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -126.99 -37.55 2.09 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -48.91 78.26 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.441 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.5 mmm -58.61 -30.83 67.54 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.163 -1.586 . . . . 0.0 111.957 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.86 54.3 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 124.47 1.033 . . . . 0.0 111.693 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -66.65 -43.26 85.07 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 126.112 1.765 . . . . 0.0 107.797 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -71.5 -41.56 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 166.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -21.87 66.84 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.561 -1.337 . . . . 0.0 110.972 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 p -108.86 12.2 25.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.976 1.31 . . . . 0.0 113.771 173.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.6 p -74.4 105.51 5.58 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 120.939 1.699 . . . . 0.0 106.465 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.39 9.56 2.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.606 -1.934 . . . . 0.0 113.309 -166.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 p -153.99 139.2 17.48 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 125.972 1.709 . . . . 0.0 108.443 -164.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -34.4 68.86 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 123.87 1.795 . . . . 0.0 109.972 173.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -58.78 -37.4 76.23 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.846 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.92 57.06 Favored Glycine 0 C--O 1.216 -1.024 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 65' ' ' ARG . 46.7 tp -58.59 -44.47 89.84 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.244 -1.151 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.32 -32.77 74.37 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.972 3.309 . . . . 0.0 113.706 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.49 -42.29 68.24 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.524 1.13 . . . . 0.0 110.963 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -37.05 82.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.254 1.422 . . . . 0.0 111.734 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.32 -42.13 98.98 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 125.469 1.508 . . . . 0.0 111.163 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.73 71.76 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.414 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -33.99 76.26 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.26 1.846 . . . . 0.0 111.376 -174.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -56.44 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.698 1.599 . . . . 0.0 109.624 169.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.8 mmpt? -62.13 -34.93 77.28 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.823 -1.173 . . . . 0.0 113.442 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -66.94 -40.35 87.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.965 3.306 . . . . 0.0 112.623 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -70.11 -43.44 71.0 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 114.563 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 127.058 2.143 . . . . 0.0 114.47 -164.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.293 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.56 -43.3 75.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.452 0.644 . . . . 0.0 110.983 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.6 m -59.49 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.569 1.548 . . . . 0.0 113.555 -170.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.2 -45.59 92.69 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.56 -46.66 84.92 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.607 -168.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -46.66 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.76 69.91 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 123.113 1.435 . . . . 0.0 111.759 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -45.86 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 CA-C-N 112.999 -1.91 . . . . 0.0 113.115 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -62.92 -42.98 99.98 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 119.596 1.089 . . . . 0.0 110.871 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.23 -28.99 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.525 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.28 64.87 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 129.626 3.17 . . . . 0.0 116.906 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.77 -51.62 25.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 128.669 2.788 . . . . 0.0 110.605 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.7 68.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 159.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.78 -54.9 25.93 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 127.337 2.399 . . . . 0.0 109.749 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.668 2.387 . . . . 0.0 113.205 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.04 -47.47 77.8 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 120.068 1.304 . . . . 0.0 110.279 -170.448 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.38 78.13 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.37 -47.8 69.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.87 1.795 . . . . 0.0 110.422 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.309 16.3 mt -67.71 -32.69 73.5 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 112.17 -2.286 . . . . 0.0 115.5 -176.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -75.25 -31.42 60.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 130.402 3.481 . . . . 0.0 111.689 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.89 -29.27 68.33 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.336 158.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -93.9 24.62 4.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.483 1.193 0 C-N-CA 127.699 2.399 . . . . 0.0 115.687 -168.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.32 -33.73 59.02 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.91 1.284 . . . . 0.0 113.273 155.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.72 80.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.246 1.818 . . . . 0.0 113.151 -169.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.85 -24.09 61.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.203 2.601 . . . . 0.0 114.41 -163.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mp -128.88 -4.79 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 127.276 2.231 . . . . 0.0 111.857 -165.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.98 -25.21 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.501 1.92 . . . . 0.0 113.612 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.74 -55.91 1.39 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.207 1.403 . . . . 0.0 111.636 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.24 -48.65 78.29 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 118.798 0.726 . . . . 0.0 112.199 -168.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.6 mmm -58.41 -36.89 74.26 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.212 -1.555 . . . . 0.0 112.488 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.94 55.16 Favored Glycine 0 C--O 1.226 -0.399 0 N-CA-C 112.224 -0.35 . . . . 0.0 112.224 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -43.18 99.19 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 124.441 1.097 . . . . 0.0 111.368 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.66 -54.39 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.93 62.13 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -110.5 12.53 22.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.675 1.99 . . . . 0.0 113.577 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.36 -31.72 64.06 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.574 -1.329 . . . . 0.0 114.098 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 73.3 -4.04 2.3 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 127.903 2.481 . . . . 0.0 114.742 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -148.04 137.71 22.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 125.062 1.345 . . . . 0.0 108.086 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -34.42 70.34 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-O 123.612 1.672 . . . . 0.0 110.378 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.48 -35.55 74.33 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 112.9 -1.954 . . . . 0.0 110.82 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.78 48.02 Favored Glycine 0 C--O 1.216 -1.001 0 N-CA-C 115.906 1.123 . . . . 0.0 115.906 165.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -58.86 -41.27 86.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 119.214 1.507 . . . . 0.0 112.088 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.76 -33.08 75.04 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 130.581 3.553 . . . . 0.0 114.797 170.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.48 -43.01 61.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.889 1.275 . . . . 0.0 110.637 171.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.29 83.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.972 1.709 . . . . 0.0 111.258 167.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -63.29 -44.37 95.22 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 123.776 0.83 . . . . 0.0 110.915 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.9 79.93 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.855 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.02 73.31 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 120.4 -1.438 . . . . 0.0 112.633 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.4 -56.47 21.67 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.121 1.769 . . . . 0.0 108.332 166.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -60.44 -36.9 79.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -67.22 -49.28 65.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.359 2.664 . . . . 0.0 111.826 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -70.42 -42.7 71.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.224 -0.281 0 CA-C-N 121.535 1.971 . . . . 0.0 112.169 -172.37 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.406 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -61.06 -35.06 75.93 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -59.5 -42.35 91.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.425 1.49 . . . . 0.0 113.216 -171.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.86 -51.04 71.01 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.41 -46.14 91.06 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 127.201 2.2 . . . . 0.0 113.675 -165.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -46.19 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.221 1.009 . . . . 0.0 111.312 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -49.91 69.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.945 -171.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -67.66 -45.98 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 CA-C-N 112.571 -2.104 . . . . 0.0 110.394 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -37.31 87.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 122.96 2.618 . . . . 0.0 113.332 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.67 -32.61 72.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.73 39.71 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 130.067 3.347 . . . . 0.0 116.637 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.69 -51.65 26.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 129.547 3.139 . . . . 0.0 111.056 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.57 70.51 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 159.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.32 -58.84 8.34 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 127.709 2.576 . . . . 0.0 110.436 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.282 27.2 tptt -69.93 -34.7 73.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 128.229 2.612 . . . . 0.0 114.343 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.89 78.66 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.949 -1.719 . . . . 0.0 110.337 -169.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.42 78.35 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.19 -47.59 70.45 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.965 1.364 . . . . 0.0 110.784 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.29 16.4 mt -67.54 -32.4 73.16 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 112.121 -2.309 . . . . 0.0 114.902 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.16 -31.86 61.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 129.903 3.281 . . . . 0.0 111.903 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -75.21 -10.4 59.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.822 1.649 . . . . 0.0 111.536 160.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -116.3 33.6 5.46 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.74 1.216 . . . . 0.0 113.56 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.48 1.059 0 C-N-CA 127.493 2.317 . . . . 0.0 115.552 -172.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.77 -35.04 57.97 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.543 1.537 . . . . 0.0 112.612 162.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.56 -36.73 3.15 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.59 2.356 . . . . 0.0 114.552 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' HG ' ' N ' ' A' ' 53' ' ' ASP . 1.8 m -58.92 -35.65 73.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.544 2.338 . . . . 0.0 112.842 -171.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.3 4.67 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.374 0 C-N-CA 126.923 2.089 . . . . 0.0 111.079 -157.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.15 -27.53 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -173.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -137.31 -36.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.255 1.422 . . . . 0.0 114.236 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -47.66 84.99 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 126.965 2.106 . . . . 0.0 113.022 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.6 mmm -60.45 -27.6 67.66 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 119.768 -1.833 . . . . 0.0 112.772 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.19 89.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.163 -0.961 . . . . 0.0 112.192 165.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.432 0.0 OUTLIER -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 129.145 2.978 . . . . 0.0 109.151 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 43.4 mm -61.0 -54.38 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 126.105 1.762 . . . . 0.0 108.773 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -23.24 61.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.789 -166.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -108.42 12.45 26.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.409 2.283 . . . . 0.0 113.622 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.444 ' SG ' HD13 ' A' ' 68' ' ' LEU . 30.9 p -65.41 -20.26 66.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 120.714 -1.241 . . . . 0.0 112.843 -169.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 56.14 -10.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 132.582 4.353 . . . . 0.0 117.665 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 p -153.98 142.04 20.31 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.471 1.908 . . . . 0.0 107.495 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.36 -35.88 71.3 Favored 'General case' 0 C--O 1.211 -0.962 0 C-N-CA 117.79 -1.564 . . . . 0.0 110.056 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.7 -35.58 80.18 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 126.264 1.826 . . . . 0.0 111.581 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.4 46.26 Favored Glycine 0 C--O 1.212 -1.222 0 N-CA-C 116.141 1.216 . . . . 0.0 116.141 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 tp -58.71 -39.65 81.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 120.398 2.099 . . . . 0.0 114.169 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.23 -33.44 74.58 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 129.914 3.286 . . . . 0.0 114.707 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.36 -38.65 63.15 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.693 1.197 . . . . 0.0 111.233 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.68 -37.11 82.9 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.097 1.359 . . . . 0.0 109.812 167.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.93 -44.6 80.23 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 125.281 1.433 . . . . 0.0 111.664 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.62 75.5 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.472 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -33.34 75.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.444 1.475 . . . . 0.0 111.179 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.67 -56.11 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.619 1.968 . . . . 0.0 108.151 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.3 mmpt? -63.2 -37.9 89.06 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -67.05 -46.65 73.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.347 3.059 . . . . 0.0 112.322 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -70.27 -45.1 67.08 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.292 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -159.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.81 -43.15 76.64 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.512 -1.367 . . . . 0.0 110.449 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.1 m -59.7 -45.42 92.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -171.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.1 -48.0 75.23 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.456 1.48 . . . . 0.0 109.035 170.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.85 -46.59 84.3 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.503 1.127 . . . . 0.0 111.458 -157.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -46.49 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.624 -178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -49.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.804 1.287 . . . . 0.0 110.699 -170.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -45.98 82.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -36.43 79.36 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 120.333 1.424 . . . . 0.0 111.257 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.19 -29.2 69.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.759 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.67 69.34 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 131.157 3.783 . . . . 0.0 115.478 166.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.95 -51.59 57.22 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 124.903 1.281 . . . . 0.0 110.822 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.56 71.49 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.457 -1.701 . . . . 0.0 113.375 166.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.83 -57.33 16.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 128.629 3.014 . . . . 0.0 109.604 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -69.94 -34.6 73.66 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 127.277 2.231 . . . . 0.0 113.537 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -55.99 -49.31 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 120.446 -1.409 . . . . 0.0 110.31 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.32 72.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -67.32 -47.68 69.83 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.355 1.55 . . . . 0.0 110.24 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 HD13 ' SG ' ' A' ' 27' ' ' CYS . 15.5 mt -67.4 -32.74 73.84 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.182 -2.281 . . . . 0.0 115.815 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.3 -31.67 60.74 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 130.304 3.441 . . . . 0.0 112.053 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.75 -26.99 65.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.149 158.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -95.45 23.87 5.62 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 126.783 2.033 . . . . 0.0 114.884 -169.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 CA--C 1.549 0.918 0 CA-C-O 120.716 0.293 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -76.89 -38.13 54.15 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 125.965 1.706 . . . . 0.0 113.316 158.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.55 55.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.806 2.042 . . . . 0.0 114.152 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -27.68 65.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 127.783 2.433 . . . . 0.0 113.237 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.65 14.83 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 128.361 2.664 . . . . 0.0 110.998 -163.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -99.05 -7.94 26.04 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 127.212 2.205 . . . . 0.0 114.632 -171.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -130.99 -61.79 0.92 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.599 1.16 . . . . 0.0 112.109 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -57.54 -47.9 80.76 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 124.879 1.272 . . . . 0.0 112.936 -174.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.7 mmm -58.44 -35.78 72.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.259 1.424 . . . . 0.0 112.185 -171.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.01 56.08 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 123.979 0.799 . . . . 0.0 111.804 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.0 OUTLIER -62.71 -43.34 99.06 Favored 'General case' 0 N--CA 1.433 -1.322 0 C-N-CA 125.852 1.661 . . . . 0.0 109.317 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.6 pt -70.17 -44.33 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.08 65.41 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.617 0.644 . . . . 0.0 111.754 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -105.71 12.34 31.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.889 2.076 . . . . 0.0 113.657 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' A' ' 68' ' ' LEU . 25.6 p -68.94 -23.74 64.19 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 119.298 -2.127 . . . . 0.0 113.467 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 58.71 -4.99 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.705 3.602 . . . . 0.0 116.566 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.9 p -153.63 139.19 17.79 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.874 1.67 . . . . 0.0 107.172 -169.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -35.83 74.62 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.588 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.07 -35.05 77.46 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 126.335 1.854 . . . . 0.0 111.34 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.94 -43.63 40.28 Favored Glycine 0 C--O 1.211 -1.288 0 CA-C-O 118.436 -1.202 . . . . 0.0 115.756 163.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.56 -37.74 76.37 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.494 2.147 . . . . 0.0 113.224 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -32.8 74.59 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 129.837 3.255 . . . . 0.0 114.265 169.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.24 -39.03 63.33 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.434 1.093 . . . . 0.0 110.933 168.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.77 -39.21 90.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.994 1.717 . . . . 0.0 109.575 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -63.77 -45.71 88.54 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 125.17 1.388 . . . . 0.0 110.731 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -48.83 71.8 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.498 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -33.7 75.73 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.687 -1.258 . . . . 0.0 112.001 -175.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -56.51 21.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.736 2.014 . . . . 0.0 109.13 170.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -61.58 -36.47 80.76 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.89 -1.131 . . . . 0.0 113.304 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -66.97 -42.05 85.8 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.929 2.891 . . . . 0.0 113.278 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -70.28 -42.9 71.47 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -161.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -55.94 -44.55 78.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 119.687 -1.883 . . . . 0.0 111.57 174.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.95 -45.21 93.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -168.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.563 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.28 -48.67 72.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.747 1.612 . . . . 0.0 109.044 171.053 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.3 -46.44 88.75 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 124.292 0.995 . . . . 0.0 111.428 -161.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -46.53 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.69 69.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.603 1.192 . . . . 0.0 111.393 -171.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -45.7 83.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.128 175.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.14 -43.62 98.42 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 119.653 1.115 . . . . 0.0 110.784 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.66 -28.73 68.69 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.809 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -45.78 61.99 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 129.737 3.215 . . . . 0.0 115.821 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.57 -51.79 26.04 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.132 2.573 . . . . 0.0 110.539 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.59 69.87 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 159.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.01 -56.66 17.74 Favored Glycine 0 C--O 1.223 -0.548 0 C-N-CA 128.51 2.957 . . . . 0.0 109.753 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -69.76 -34.61 74.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 128.298 2.639 . . . . 0.0 112.439 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -55.82 -48.8 74.8 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.209 -0.932 . . . . 0.0 109.564 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.17 75.2 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.25 -47.63 70.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 123.566 1.651 . . . . 0.0 109.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD12 ' SG ' ' A' ' 27' ' ' CYS . 17.2 mt -67.6 -32.47 73.22 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.165 -2.289 . . . . 0.0 115.147 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -75.29 -32.47 61.0 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 130.29 3.436 . . . . 0.0 112.082 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.72 -15.19 62.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.845 1.258 . . . . 0.0 110.843 158.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -108.22 24.33 13.16 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 125.68 1.592 . . . . 0.0 114.713 -170.659 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 120.574 0.226 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.6 -39.72 64.4 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.94 159.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.85 -39.45 39.11 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.356 1.863 . . . . 0.0 113.94 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -58.96 -25.26 63.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.019 2.127 . . . . 0.0 114.629 -172.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.18 -0.33 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 127.303 2.241 . . . . 0.0 110.924 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.1 -14.93 49.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.703 1.601 . . . . 0.0 113.974 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.15 -72.33 0.69 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.422 1.489 . . . . 0.0 110.952 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.72 -48.66 80.38 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 124.475 1.11 . . . . 0.0 113.633 -167.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 32.6 mmm -58.46 -36.79 74.23 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.587 1.085 . . . . 0.0 113.023 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.09 -38.98 54.63 Favored Glycine 0 C--O 1.223 -0.554 0 CA-C-O 119.436 -0.646 . . . . 0.0 111.956 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -61.99 -43.26 99.22 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 125.144 1.377 . . . . 0.0 109.688 -178.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 pt -70.81 -45.71 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.08 -21.8 65.25 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 118.758 0.708 . . . . 0.0 111.4 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.5 t -104.81 12.39 32.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.014 2.126 . . . . 0.0 113.453 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.466 ' SG ' HD13 ' A' ' 68' ' ' LEU . 24.0 p -68.78 -25.27 64.62 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.352 -2.093 . . . . 0.0 113.157 -168.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 57.5 -3.22 0.05 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 131.363 3.865 . . . . 0.0 116.8 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.1 p -153.7 139.73 18.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.956 1.702 . . . . 0.0 107.429 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -36.39 74.69 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.55 1.643 . . . . 0.0 110.018 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 113.011 -1.904 . . . . 0.0 111.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -42.7 43.82 Favored Glycine 0 C--O 1.215 -1.078 0 CA-C-O 118.496 -1.169 . . . . 0.0 115.847 162.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -58.7 -41.0 85.29 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 120.251 2.025 . . . . 0.0 113.962 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.39 -33.79 72.98 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 130.17 3.388 . . . . 0.0 114.624 167.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.19 -39.1 63.4 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.535 1.134 . . . . 0.0 110.962 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.58 -37.21 83.02 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.87 1.268 . . . . 0.0 110.066 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -65.88 -44.91 83.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.556 1.542 . . . . 0.0 111.359 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.98 76.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.704 171.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -32.06 73.18 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.623 -1.298 . . . . 0.0 111.635 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -59.56 -56.4 22.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.298 1.839 . . . . 0.0 108.493 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 2.5 mmpt? -60.95 -36.97 80.77 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.591 -1.318 . . . . 0.0 113.292 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -67.04 -46.83 73.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.821 2.848 . . . . 0.0 113.361 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -70.32 -39.12 74.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 170.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.327 -0.395 0 O-C-N 119.509 -1.994 . . . . 0.0 114.215 -166.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.81 -40.98 76.96 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 119.988 -1.695 . . . . 0.0 111.617 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 m -59.44 -45.66 90.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -169.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.536 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.19 -50.51 67.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.038 1.29 . . . . 0.0 108.635 174.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.27 -45.13 94.38 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.931 1.292 . . . . 0.0 113.028 -160.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -46.32 80.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 124.545 1.138 . . . . 0.0 111.982 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -49.77 70.52 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.08 0.943 . . . . 0.0 108.628 -173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.63 -46.01 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-N 112.74 -2.027 . . . . 0.0 111.958 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -69.26 -37.41 77.91 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 122.685 2.493 . . . . 0.0 111.481 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.99 -30.88 70.25 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.939 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.32 -50.26 34.22 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 129.742 3.217 . . . . 0.0 116.468 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.75 -51.62 26.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.6 3.56 . . . . 0.0 110.405 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.64 71.73 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 161.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.62 -59.09 6.23 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 128.084 2.754 . . . . 0.0 110.549 170.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.78 -34.7 74.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 128.921 2.889 . . . . 0.0 112.539 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -55.88 -49.62 72.88 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 124.521 1.129 . . . . 0.0 109.619 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.28 75.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.29 -47.74 69.72 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.277 1.513 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 27' ' ' CYS . 18.0 mt -67.56 -32.18 72.76 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 112.514 -2.13 . . . . 0.0 115.695 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.17 -31.58 61.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.747 3.619 . . . . 0.0 112.155 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.75 -27.47 66.81 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.92 157.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -93.28 21.91 5.62 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 127.518 2.327 . . . . 0.0 115.28 -171.833 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -76.57 -28.81 56.37 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.404 1.482 . . . . 0.0 113.49 158.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -42.83 68.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 113.35 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -59.35 -22.12 60.83 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.123 2.169 . . . . 0.0 114.267 -161.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mp -126.06 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.637 2.375 . . . . 0.0 111.634 -168.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.35 -25.05 57.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.991 1.716 . . . . 0.0 113.611 -167.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.7 -54.72 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.624 1.569 . . . . 0.0 112.291 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -57.07 -46.01 82.82 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.282 0.946 . . . . 0.0 113.039 -167.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 mmm -58.31 -39.39 79.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.259 1.424 . . . . 0.0 113.1 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.08 55.86 Favored Glycine 0 C--O 1.221 -0.669 0 O-C-N 121.917 -0.49 . . . . 0.0 112.239 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 23' ' ' LYS 0.301 0.1 OUTLIER -58.98 -43.22 91.36 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 118.322 1.061 . . . . 0.0 111.525 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -71.53 -54.48 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 170.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.33 -22.03 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.546 -0.722 . . . . 0.0 111.926 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -111.31 12.53 21.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.92 2.088 . . . . 0.0 114.274 172.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.52 -31.69 66.31 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 120.258 -1.526 . . . . 0.0 113.579 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 69.72 -3.82 1.58 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.278 2.631 . . . . 0.0 114.85 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p -146.19 137.65 24.71 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 125.114 1.366 . . . . 0.0 108.512 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -33.44 69.42 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 123.28 1.514 . . . . 0.0 110.044 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.35 -34.54 75.46 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.833 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.85 47.63 Favored Glycine 0 C--O 1.216 -1.028 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 164.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.66 -42.78 89.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 119.138 1.469 . . . . 0.0 112.298 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.49 -32.92 74.52 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 130.227 3.411 . . . . 0.0 114.149 170.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.27 -42.39 59.69 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.735 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.21 82.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.216 1.806 . . . . 0.0 110.345 167.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.09 -46.16 88.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 119.361 0.982 . . . . 0.0 110.668 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -46.34 83.73 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.508 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.12 77.6 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.972 1.26 . . . . 0.0 112.387 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -59.59 -56.39 22.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 109.259 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -60.29 -34.68 74.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -49.43 67.13 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 128.191 2.596 . . . . 0.0 111.414 175.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -70.07 -46.04 65.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.424 0 CA-C-N 120.77 1.623 . . . . 0.0 113.11 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.05 -38.69 89.68 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -59.46 -42.49 92.14 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.478 1.511 . . . . 0.0 113.188 -168.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.58 -50.76 71.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.31 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.18 -46.23 90.41 Favored 'General case' 0 C--O 1.211 -0.937 0 C-N-CA 128.336 2.655 . . . . 0.0 112.227 -165.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -46.4 79.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -49.85 69.52 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 118.545 -1.262 . . . . 0.0 107.662 -172.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 m -67.86 -46.36 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.113 0 CA-C-N 112.272 -2.24 . . . . 0.0 113.273 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -69.12 -34.25 74.75 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 123.176 2.716 . . . . 0.0 112.864 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.27 -30.57 63.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.332 1.063 . . . . 0.0 111.454 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -46.83 60.21 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 129.676 3.19 . . . . 0.0 116.381 168.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.85 -51.72 24.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 129.5 3.12 . . . . 0.0 110.743 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.54 69.85 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 158.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.7 -56.46 20.21 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.705 2.098 . . . . 0.0 109.906 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -69.65 -34.7 74.38 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 129.332 3.053 . . . . 0.0 113.872 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -47.43 77.7 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 119.761 -1.837 . . . . 0.0 110.397 -171.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.38 77.13 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.12 -47.78 70.09 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.976 1.37 . . . . 0.0 111.376 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.278 15.4 mt -67.46 -32.58 73.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.033 -2.349 . . . . 0.0 114.782 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.2 -31.98 61.07 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.544 3.538 . . . . 0.0 111.807 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.07 -13.63 61.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.635 1.174 . . . . 0.0 111.088 158.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -106.19 21.12 17.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.263 1.025 . . . . 0.0 113.361 170.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 125.981 1.712 . . . . 0.0 113.578 -178.475 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -76.82 -32.07 57.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.085 1.354 . . . . 0.0 112.802 161.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.36 72.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.047 2.139 . . . . 0.0 114.401 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -30.46 68.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.495 2.318 . . . . 0.0 113.581 -161.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.62 7.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 127.643 2.377 . . . . 0.0 110.413 -154.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.43 -25.78 59.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.761 1.624 . . . . 0.0 114.062 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.5 -44.35 1.0 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.088 1.355 . . . . 0.0 113.707 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -48.87 78.89 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.186 1.395 . . . . 0.0 113.079 -174.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 mmm -58.51 -30.36 66.99 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.095 -1.628 . . . . 0.0 112.146 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.88 -38.95 55.92 Favored Glycine 0 C--O 1.222 -0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 112.023 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.04 -43.17 83.45 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 126.323 1.849 . . . . 0.0 107.984 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -71.23 -42.54 74.96 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 167.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -22.52 66.13 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.91 1.232 . . . . 0.0 111.964 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.1 t -102.79 12.46 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.37 2.268 . . . . 0.0 112.974 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.44 ' SG ' HD13 ' A' ' 68' ' ' LEU . 24.8 p -69.11 -23.55 64.01 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.579 -1.951 . . . . 0.0 113.451 -167.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 59.86 -5.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 131.285 3.834 . . . . 0.0 116.586 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 p -154.02 139.19 17.44 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.779 1.631 . . . . 0.0 107.653 -169.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -36.18 75.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 117.481 -1.688 . . . . 0.0 109.214 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.64 -35.7 78.68 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.403 -176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 35' ' ' GLU . . . -73.08 -40.33 51.23 Favored Glycine 0 C--O 1.214 -1.11 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 163.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.15 -43.56 92.08 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 120.37 2.085 . . . . 0.0 114.303 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.81 -32.96 71.13 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 129.887 3.275 . . . . 0.0 113.956 168.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -74.18 -41.72 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.815 2.446 . . . . 0.0 109.812 171.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.55 -36.95 82.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.019 2.128 . . . . 0.0 109.536 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -69.54 -44.39 71.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 112.26 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.96 97.21 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.073 171.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -33.9 76.63 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.312 0.645 . . . . 0.0 112.712 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.47 -55.34 35.87 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.485 1.514 . . . . 0.0 108.473 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.1 mmpt? -60.4 -34.96 74.68 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.84 -41.63 87.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.836 2.854 . . . . 0.0 112.623 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -70.17 -46.83 63.83 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 126.18 1.792 . . . . 0.0 114.652 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.32 -0.674 0 C-N-CA 127.028 2.131 . . . . 0.0 116.43 -161.778 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 CA-C-O 120.666 0.269 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -59.38 -40.3 86.1 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.149 -0.969 . . . . 0.0 112.555 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.1 m -59.7 -48.34 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.157 1.383 . . . . 0.0 113.621 -171.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.16 -45.2 94.48 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.97 -46.51 87.39 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.19 -166.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.43 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.533 0.682 . . . . 0.0 112.468 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.71 69.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.13 -171.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.93 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.266 1.426 . . . . 0.0 113.816 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -69.09 -36.88 78.05 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 119.587 1.085 . . . . 0.0 111.193 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.36 -31.35 71.53 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.515 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.81 67.69 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 129.754 3.222 . . . . 0.0 115.966 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.89 -51.36 40.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 127.217 2.207 . . . . 0.0 109.248 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.84 70.23 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 162.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.62 26.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 128.45 2.928 . . . . 0.0 109.832 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -69.83 -34.54 73.79 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 127.446 2.298 . . . . 0.0 112.895 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.86 -48.93 74.67 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 124.41 1.084 . . . . 0.0 109.694 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.14 74.25 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.22 -47.74 69.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 123.098 1.427 . . . . 0.0 110.386 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 HD13 ' SG ' ' A' ' 27' ' ' CYS . 17.3 mt -67.69 -31.94 72.24 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.337 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.17 -31.56 61.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 130.346 3.458 . . . . 0.0 112.239 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -20.55 64.4 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.201 156.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -101.97 21.61 14.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 126.826 2.051 . . . . 0.0 115.145 -171.535 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 -25.6 63.57 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.653 2.381 . . . . 0.0 113.681 158.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.09 -26.18 15.07 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.094 1.758 . . . . 0.0 114.145 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 t -58.93 -31.67 68.87 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.524 2.33 . . . . 0.0 112.104 -162.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.64 3.03 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 125.196 1.398 . . . . 0.0 112.768 -153.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.98 -23.29 28.78 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.11 -34.24 1.68 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.83 1.252 . . . . 0.0 114.342 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -47.65 83.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.584 1.954 . . . . 0.0 112.275 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 mmm -58.38 -32.82 68.95 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.063 -1.648 . . . . 0.0 111.717 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.78 -39.0 56.3 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 125.355 1.455 . . . . 0.0 112.397 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -67.98 -43.29 79.29 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.081 1.752 . . . . 0.0 107.995 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -44.73 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.02 65.59 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.899 -1.125 . . . . 0.0 112.498 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -102.88 12.51 36.06 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.724 2.01 . . . . 0.0 112.776 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' SG ' HD12 ' A' ' 68' ' ' LEU . 30.4 p -71.63 -21.46 61.83 Favored 'General case' 0 CA--C 1.561 1.373 0 O-C-N 119.761 -1.837 . . . . 0.0 112.696 -163.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 58.31 -5.88 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 131.068 3.747 . . . . 0.0 117.516 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.89 138.36 16.79 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 126.501 1.92 . . . . 0.0 107.274 -169.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -37.08 79.69 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 117.902 -1.519 . . . . 0.0 109.778 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.27 -35.77 78.22 Favored 'General case' 0 N--CA 1.422 -1.872 0 C-N-CA 125.708 1.603 . . . . 0.0 111.245 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.96 -41.81 47.21 Favored Glycine 0 C--O 1.214 -1.134 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 163.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.85 -37.62 76.9 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.659 2.23 . . . . 0.0 113.787 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.73 -32.73 74.44 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 129.947 3.299 . . . . 0.0 113.796 169.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.41 -38.19 63.15 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.057 1.343 . . . . 0.0 111.836 167.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.6 -37.25 83.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.41 1.484 . . . . 0.0 109.744 166.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.54 -39.3 74.08 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.636 1.574 . . . . 0.0 112.629 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.36 91.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.553 168.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -32.11 73.14 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.056 -1.027 . . . . 0.0 112.094 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.59 -55.45 34.36 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.816 1.246 . . . . 0.0 108.739 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.497 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -59.89 -37.19 78.68 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.017 -1.052 . . . . 0.0 113.164 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -67.0 -33.56 75.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 129.058 2.943 . . . . 0.0 113.431 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -70.36 -45.27 66.41 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.327 -0.41 0 O-C-N 120.368 -1.457 . . . . 0.0 114.655 -163.466 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.554 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.6 -41.34 81.04 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 122.594 1.188 . . . . 0.0 109.498 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.439 ' HB ' ' CG ' ' A' ' 50' ' ' LYS 0.301 19.3 m -59.35 -35.11 73.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.636 2.774 . . . . 0.0 113.532 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.479 ' H ' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.8 -49.71 19.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.284 0.493 . . . . 0.0 110.064 165.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.266 4.9 t0 -64.24 -46.73 82.51 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 117.23 -1.367 . . . . 0.0 111.147 -162.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -46.52 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 123.866 1.793 . . . . 0.0 112.625 -173.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -49.68 70.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 111.317 -2.674 . . . . 0.0 110.163 -166.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -45.84 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 112.615 -2.084 . . . . 0.0 113.274 170.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -59.4 -38.06 79.59 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 121.493 1.951 . . . . 0.0 112.911 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.31 -35.34 79.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.84 62.21 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 129.315 3.046 . . . . 0.0 116.759 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.92 -51.65 31.14 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 127.95 2.5 . . . . 0.0 109.589 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.61 71.36 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 163.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.35 -58.43 9.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 128.832 3.111 . . . . 0.0 109.415 174.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.266 0.4 OUTLIER -69.75 -34.66 74.12 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.315 1.846 . . . . 0.0 113.177 176.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -55.89 -48.7 75.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.625 -1.297 . . . . 0.0 110.508 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.14 74.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.35 -47.82 69.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 123.566 1.651 . . . . 0.0 109.624 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD12 ' SG ' ' A' ' 27' ' ' CYS . 17.5 mt -67.58 -32.17 72.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.248 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.1 -31.55 61.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 129.987 3.315 . . . . 0.0 110.969 175.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -25.63 64.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.827 0.851 . . . . 0.0 110.768 158.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -93.96 23.38 4.94 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -165.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.33 -45.92 68.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.42 1.088 . . . . 0.0 112.083 155.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.04 57.06 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.482 1.513 . . . . 0.0 113.43 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.25 -25.86 64.41 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.133 2.573 . . . . 0.0 114.54 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mp -118.11 -31.82 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.925 1.69 . . . . 0.0 112.228 -170.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.67 -33.81 56.57 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.035 2.534 . . . . 0.0 115.3 -164.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.25 -40.24 3.95 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.508 1.123 . . . . 0.0 112.861 167.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -48.74 79.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.766 1.226 . . . . 0.0 113.807 -174.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -29.13 69.53 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 119.832 -1.792 . . . . 0.0 112.945 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.08 53.2 Favored Glycine 0 C--O 1.22 -0.777 0 C-N-CA 124.587 1.089 . . . . 0.0 112.259 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -60.38 -43.23 96.79 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 128.009 2.524 . . . . 0.0 109.329 177.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -61.16 -54.66 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.754 1.222 . . . . 0.0 108.824 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.92 62.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.726 -164.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -107.62 12.38 27.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 113.525 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' A' ' 68' ' ' LEU . 32.0 p -66.59 -22.19 66.13 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 120.669 -1.269 . . . . 0.0 112.186 -168.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 54.43 -10.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 1 C-N-CA 133.12 4.568 . . . . 0.0 118.264 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.98 142.79 21.01 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 126.769 2.028 . . . . 0.0 107.646 -166.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.88 -35.89 69.9 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.489 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.98 -35.2 79.39 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 125.754 1.622 . . . . 0.0 111.551 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.02 -40.51 51.19 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 117.917 -1.491 . . . . 0.0 115.682 163.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.76 -44.17 90.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 120.752 2.276 . . . . 0.0 113.059 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 130.461 3.505 . . . . 0.0 114.917 164.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.09 -37.47 64.18 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.205 1.002 . . . . 0.0 111.918 167.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -37.25 82.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.259 1.024 . . . . 0.0 109.872 166.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.29 -40.1 86.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 126.063 1.745 . . . . 0.0 113.065 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.17 74.68 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.196 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -32.62 73.96 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.848 -1.157 . . . . 0.0 111.354 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.33 -56.49 21.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.817 1.647 . . . . 0.0 106.809 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 1.2 mmpm? -59.61 -41.24 89.91 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.522 -0.736 . . . . 0.0 112.348 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -67.09 -35.58 80.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 129.918 3.287 . . . . 0.0 113.664 -175.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.43 -50.54 37.31 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 119.303 0.956 . . . . 0.0 113.139 160.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--N 1.323 -0.576 0 O-C-N 120.054 -1.654 . . . . 0.0 114.592 -167.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -62.61 -37.88 87.99 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 120.306 -1.496 . . . . 0.0 113.565 170.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 -43.51 77.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.609 1.564 . . . . 0.0 114.411 -165.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.54 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -60.78 -48.56 81.25 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 172.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -60.31 -44.36 95.5 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 122.035 0.922 . . . . 0.0 112.196 -158.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -46.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -49.74 69.83 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.878 1.323 . . . . 0.0 108.512 -173.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.01 -45.93 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.747 0 CA-C-N 112.363 -2.199 . . . . 0.0 116.197 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -69.13 -37.43 78.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.046 1.748 . . . . 0.0 113.261 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.44 -27.2 61.3 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.786 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.55 65.03 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 131.476 3.91 . . . . 0.0 115.276 163.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -51.59 45.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 121.272 -0.892 . . . . 0.0 109.122 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.25 -30.83 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.199 -1.364 . . . . 0.0 113.965 165.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 -58.38 14.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 128.63 3.014 . . . . 0.0 109.33 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.273 19.0 tptt -69.94 -34.54 73.57 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 126.441 1.896 . . . . 0.0 114.944 172.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -56.04 -48.38 76.11 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 120.146 1.339 . . . . 0.0 109.888 -168.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.33 -47.72 69.66 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 124.07 1.89 . . . . 0.0 110.073 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.448 HD11 ' SG ' ' A' ' 27' ' ' CYS . 15.1 mt -67.69 -32.09 72.51 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 111.72 -2.491 . . . . 0.0 115.971 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.25 -31.55 60.83 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.265 3.426 . . . . 0.0 112.026 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.52 -27.84 67.32 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.845 158.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -93.17 21.13 6.17 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.803 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 CA--C 1.55 0.961 0 C-N-CA 125.556 1.543 . . . . 0.0 113.375 -175.892 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 CA--C 1.552 1.044 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -74.6 -38.16 62.67 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.303 -1.498 . . . . 0.0 111.606 161.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.61 3.06 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.273 2.229 . . . . 0.0 114.12 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -58.93 -28.42 66.22 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 128.431 2.693 . . . . 0.0 114.031 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.61 -1.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.536 0 C-N-CA 127.613 2.365 . . . . 0.0 111.148 -173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.14 -21.89 49.64 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.719 2.008 . . . . 0.0 113.742 -166.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -127.49 -59.47 1.22 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 111.599 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -57.17 -48.4 78.83 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -166.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.6 mmm -58.38 -37.46 75.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.743 1.217 . . . . 0.0 113.265 -174.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -39.01 56.59 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 123.424 0.535 . . . . 0.0 112.105 169.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -61.23 -43.26 99.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.073 1.349 . . . . 0.0 109.847 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 pt -71.45 -45.63 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 169.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.91 65.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.53 0.604 . . . . 0.0 111.579 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -108.11 12.49 26.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.954 2.101 . . . . 0.0 113.571 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.458 ' SG ' HD11 ' A' ' 68' ' ' LEU . 28.6 p -69.12 -21.73 64.01 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 119.215 -2.178 . . . . 0.0 114.267 -168.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 60.71 -4.69 0.12 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 130.233 3.413 . . . . 0.0 116.436 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 p -153.91 137.03 15.57 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 125.986 1.714 . . . . 0.0 107.669 -169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -36.44 76.4 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 122.873 1.321 . . . . 0.0 109.614 175.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.27 -34.93 75.98 Favored 'General case' 0 N--CA 1.425 -1.675 0 C-N-CA 125.728 1.611 . . . . 0.0 111.784 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -42.09 46.24 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.453 163.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -58.76 -42.66 89.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 120.498 2.149 . . . . 0.0 113.531 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.43 -33.14 70.89 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 129.914 3.286 . . . . 0.0 114.55 167.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.45 -38.59 62.95 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.638 1.175 . . . . 0.0 111.481 168.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.68 -37.2 83.21 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.766 1.226 . . . . 0.0 110.139 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.56 -45.63 78.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 124.975 1.31 . . . . 0.0 111.306 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.59 82.71 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.833 170.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.4 73.55 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.779 -1.201 . . . . 0.0 111.653 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.55 -56.41 22.3 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.905 1.682 . . . . 0.0 108.563 168.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -38.29 81.97 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.976 -1.077 . . . . 0.0 113.565 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -67.23 -41.2 86.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 129.154 2.982 . . . . 0.0 113.311 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -70.46 -38.37 74.44 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 171.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.327 -0.409 0 O-C-N 120.529 -1.357 . . . . 0.0 114.143 -166.489 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -53.45 -44.05 68.58 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.248 1.023 . . . . 0.0 109.867 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -59.49 -41.98 91.06 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.333 1.453 . . . . 0.0 114.278 -170.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.71 -51.14 52.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.822 1.646 . . . . 0.0 108.936 171.16 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.35 -45.87 91.95 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.432 1.493 . . . . 0.0 113.116 -161.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -46.36 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.945 0.898 . . . . 0.0 111.999 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -49.77 70.44 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.754 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -67.9 -46.08 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 0 CA-C-N 113.01 -1.904 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -69.3 -36.15 76.73 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 122.357 2.344 . . . . 0.0 111.737 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.27 -30.83 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.031 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -49.51 40.45 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 130.075 3.35 . . . . 0.0 116.366 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.43 -51.65 27.88 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.571 3.548 . . . . 0.0 110.703 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -30.48 71.17 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 159.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.19 -57.35 10.27 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 127.906 2.67 . . . . 0.0 110.366 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -34.67 74.09 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 128.652 2.781 . . . . 0.0 113.216 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -55.91 -48.8 75.01 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.983 0.913 . . . . 0.0 109.524 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.22 75.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.35 -47.67 69.76 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.708 1.242 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' ' 27' ' ' CYS . 16.8 mt -67.61 -33.06 74.23 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 112.179 -2.282 . . . . 0.0 115.647 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -75.29 -32.34 60.98 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 130.183 3.393 . . . . 0.0 111.366 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -72.64 -11.26 60.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 111.163 159.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -113.02 21.58 15.25 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.121 1.368 . . . . 0.0 113.695 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.481 1.097 0 C-N-CA 125.686 1.594 . . . . 0.0 114.753 -167.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.98 -37.43 55.16 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.306 1.842 . . . . 0.0 114.205 157.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.21 66.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.152 1.781 . . . . 0.0 113.505 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -32.69 69.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.711 2.404 . . . . 0.0 113.666 -163.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 9.9 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 127.821 2.448 . . . . 0.0 110.193 -156.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.09 -21.5 39.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.506 1.922 . . . . 0.0 114.075 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.64 -57.95 0.99 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.575 1.15 . . . . 0.0 112.844 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.47 -44.34 84.76 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.953 0.797 . . . . 0.0 112.996 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.41 -33.57 69.8 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.894 -1.129 . . . . 0.0 112.093 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 -39.05 54.66 Favored Glycine 0 C--O 1.22 -0.756 0 C-N-CA 125.076 1.322 . . . . 0.0 111.457 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.261 0.1 OUTLIER -67.7 -43.4 80.17 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.121 1.368 . . . . 0.0 108.459 -174.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -41.78 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -22.77 67.08 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.344 -0.847 . . . . 0.0 112.238 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 t -101.82 12.28 37.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.767 2.027 . . . . 0.0 113.08 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.454 ' SG ' HD13 ' A' ' 68' ' ' LEU . 21.0 p -70.65 -18.77 62.85 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 119.96 -1.712 . . . . 0.0 111.962 -163.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 56.34 -3.21 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.298 1 C-N-CA 131.899 4.08 . . . . 0.0 117.067 167.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -154.05 142.45 20.63 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 129.121 2.969 . . . . 0.0 106.373 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -34.96 69.71 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 118.012 -1.475 . . . . 0.0 109.535 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.62 -35.08 78.41 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 126.109 1.764 . . . . 0.0 110.773 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -42.04 46.63 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 116.468 1.347 . . . . 0.0 116.468 163.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 tp -58.78 -41.43 86.63 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 119.936 1.868 . . . . 0.0 113.857 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.27 -33.37 73.43 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 129.623 3.169 . . . . 0.0 114.292 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.42 -39.13 62.81 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 111.513 169.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.6 -37.21 83.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.332 1.853 . . . . 0.0 108.956 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -67.98 -45.98 72.62 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.371 1.068 . . . . 0.0 111.574 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.05 77.33 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.001 171.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -32.94 74.43 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.536 -1.352 . . . . 0.0 112.219 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.55 -56.18 25.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.971 1.309 . . . . 0.0 109.571 167.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 mmpt? -59.89 -37.42 79.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.077 -1.015 . . . . 0.0 113.158 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -65.57 -42.13 92.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 129.485 3.114 . . . . 0.0 112.382 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -70.31 -45.9 65.32 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 126.966 2.106 . . . . 0.0 116.428 -162.879 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.305 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -53.67 -43.64 69.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.118 0.485 . . . . 0.0 112.263 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.355 1.062 . . . . 0.0 113.515 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.73 -47.49 84.98 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -62.02 -46.6 88.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.82 -167.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -46.57 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 119.557 -0.857 . . . . 0.0 113.299 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.92 69.05 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.153 0.978 . . . . 0.0 111.918 -171.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -46.1 82.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 113.956 -1.474 . . . . 0.0 113.285 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -68.32 -37.8 80.93 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.381 0.991 . . . . 0.0 110.638 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.43 -30.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.912 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.9 65.93 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 128.964 2.906 . . . . 0.0 115.872 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -67.43 -51.59 49.8 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.24 2.216 . . . . 0.0 109.67 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.65 71.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.837 0.855 . . . . 0.0 112.914 164.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.09 16.06 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 129.335 3.35 . . . . 0.0 109.513 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.251 5.5 tttt -69.81 -34.77 74.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 127.006 2.123 . . . . 0.0 113.369 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -56.12 -49.39 74.03 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -173.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.28 74.0 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.577 -0.702 . . . . 0.0 112.612 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.29 -47.83 69.45 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 123.67 1.7 . . . . 0.0 109.839 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD13 ' SG ' ' A' ' 27' ' ' CYS . 16.7 mt -67.58 -32.63 73.52 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 112.218 -2.265 . . . . 0.0 115.203 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.04 -32.03 61.46 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 110.71 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.37 -32.09 70.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.966 159.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -73.5 -36.86 65.82 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.482 1.171 1 C-N-CA 133.854 4.862 . . . . 0.0 117.292 -170.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.21 -34.84 59.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.375 1.47 . . . . 0.0 112.782 160.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -36.24 71.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.844 2.058 . . . . 0.0 114.142 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -58.86 -33.44 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 128.072 2.549 . . . . 0.0 113.089 -162.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.27 6.11 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 C-N-CA 127.425 2.29 . . . . 0.0 110.57 -154.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.4 -34.19 74.14 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.77 2.028 . . . . 0.0 113.963 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -138.7 -28.85 0.81 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.036 1.334 . . . . 0.0 114.259 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -47.34 82.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.665 1.986 . . . . 0.0 112.771 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.7 mmm -58.35 -33.15 69.23 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 119.905 -1.747 . . . . 0.0 112.019 174.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -39.04 54.85 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-O 119.47 -0.628 . . . . 0.0 111.717 169.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 1.1 ptmt -65.09 -43.31 92.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 125.004 1.321 . . . . 0.0 107.91 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -42.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.82 66.88 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.124 -0.985 . . . . 0.0 112.218 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.18 12.5 21.84 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.115 2.166 . . . . 0.0 113.87 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.7 p -64.18 -17.64 63.71 Favored 'General case' 0 CA--C 1.554 1.129 0 O-C-N 120.632 -1.292 . . . . 0.0 114.13 -167.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 59.89 -7.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 131.226 3.81 . . . . 0.0 117.444 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -153.98 139.89 18.19 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 126.374 1.87 . . . . 0.0 107.169 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -36.13 75.83 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.833 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.06 -34.79 78.34 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 126.002 1.721 . . . . 0.0 111.444 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.93 -41.81 47.45 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 116.606 1.402 . . . . 0.0 116.606 162.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.79 -39.87 82.35 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 119.842 1.821 . . . . 0.0 113.534 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.96 -33.53 75.59 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 129.947 3.299 . . . . 0.0 114.559 168.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.28 -38.73 63.33 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.508 1.123 . . . . 0.0 111.405 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.78 -37.09 83.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.209 1.404 . . . . 0.0 109.957 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -66.91 -43.98 81.95 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 125.016 1.326 . . . . 0.0 112.028 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.5 79.23 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.363 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.5 73.76 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 120.352 -1.468 . . . . 0.0 112.343 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.76 -56.32 23.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.289 1.836 . . . . 0.0 108.876 167.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.4 mmpt? -61.15 -36.29 79.39 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.295 -0.878 . . . . 0.0 113.3 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -66.82 -40.78 88.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 129.771 3.228 . . . . 0.0 113.125 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -70.18 -43.42 70.83 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.326 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-N 122.322 2.328 . . . . 0.0 114.418 -155.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.18 -43.17 74.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.808 0.813 . . . . 0.0 110.461 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -59.76 -32.59 70.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.432 1.493 . . . . 0.0 114.969 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.45 -51.41 14.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.646 0.736 . . . . 0.0 109.127 167.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.18 -46.69 76.48 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.839 -158.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.62 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 121.968 0.89 . . . . 0.0 111.658 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -49.96 68.76 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.99 -167.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -46.05 82.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.625 175.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.72 76.68 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 120.671 1.578 . . . . 0.0 110.88 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.43 -33.06 75.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.292 -0.963 . . . . 0.0 112.845 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -42.16 68.4 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 129.578 3.151 . . . . 0.0 115.655 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.45 -51.58 55.39 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.36 2.264 . . . . 0.0 109.749 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.66 68.76 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.25 1.42 . . . . 0.0 112.593 164.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.99 32.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 128.645 3.021 . . . . 0.0 109.006 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -34.61 74.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 126.204 1.802 . . . . 0.0 113.926 172.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -56.7 -48.0 78.67 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.579 -1.326 . . . . 0.0 110.433 -171.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.3 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.12 -47.69 70.36 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.003 1.382 . . . . 0.0 109.615 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 HD11 ' SG ' ' A' ' 27' ' ' CYS . 13.9 mt -67.53 -33.05 74.27 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 111.953 -2.385 . . . . 0.0 115.485 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.09 -32.85 61.56 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.675 3.19 . . . . 0.0 111.974 174.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -17.58 63.64 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.158 158.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -105.08 22.67 14.91 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.2 1.0 . . . . 0.0 113.642 172.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 125.29 1.436 . . . . 0.0 112.643 -176.739 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.74 -26.54 54.73 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.622 1.569 . . . . 0.0 113.384 159.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.27 90.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.069 1.747 . . . . 0.0 113.224 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m -58.96 -33.25 70.42 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.838 -1.983 . . . . 0.0 112.863 -154.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.95 3.98 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 C-N-CA 127.133 2.173 . . . . 0.0 111.066 -153.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.87 -31.85 66.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.182 1.793 . . . . 0.0 113.77 -172.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.39 -33.04 0.75 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -48.77 78.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.46 2.304 . . . . 0.0 112.19 -176.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mmm -58.99 -32.77 69.98 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 119.899 -1.751 . . . . 0.0 112.393 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 -38.91 53.33 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 123.556 0.598 . . . . 0.0 111.838 168.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.295 0.4 OUTLIER -63.72 -43.33 96.85 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 120.873 -1.369 . . . . 0.0 109.835 -175.569 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 -54.75 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 166.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.47 -22.13 61.86 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.068 -1.02 . . . . 0.0 113.104 -172.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.5 t -111.23 12.49 21.76 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.942 2.097 . . . . 0.0 114.114 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.21 -33.02 51.08 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.52 -1.362 . . . . 0.0 114.494 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 76.03 -3.91 2.47 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 128.559 2.744 . . . . 0.0 114.035 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 p -147.48 137.95 23.27 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 125.346 1.458 . . . . 0.0 108.132 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -34.94 69.9 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.441 1.591 . . . . 0.0 109.795 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.91 -35.39 72.98 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.015 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.68 51.19 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 165.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.92 -41.75 88.05 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.827 -1.396 . . . . 0.0 112.413 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.0 -32.75 74.64 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 130.189 3.396 . . . . 0.0 114.799 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.68 -43.37 59.53 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.526 1.13 . . . . 0.0 110.521 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -37.15 82.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.324 1.85 . . . . 0.0 110.659 168.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.18 -43.13 99.09 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.941 1.246 . . . . 0.0 111.344 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.77 69.67 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.981 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -33.24 74.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.676 1.58 . . . . 0.0 111.652 -174.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -56.28 23.91 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.794 2.038 . . . . 0.0 109.414 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.1 mmpt? -62.0 -35.8 79.61 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -66.96 -40.19 87.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.568 3.147 . . . . 0.0 112.69 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -70.2 -45.26 66.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.29 1.836 . . . . 0.0 115.116 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.33 -0.279 0 C-N-CA 128.157 2.583 . . . . 0.0 114.681 -168.786 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 122.006 0.908 . . . . 0.0 112.824 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.56 -35.02 78.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -61.45 -44.74 96.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.755 2.022 . . . . 0.0 112.655 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -61.05 -47.2 87.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.36 -46.59 89.39 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.359 -163.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.72 78.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 172.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -49.94 68.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.638 1.209 . . . . 0.0 109.655 -172.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -45.92 82.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 C-N-CA 126.645 1.978 . . . . 0.0 113.718 173.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.39 -41.67 97.49 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.2 1.818 . . . . 0.0 112.544 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.75 0.786 . . . . 0.0 110.735 -171.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.83 69.39 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 129.74 3.216 . . . . 0.0 116.758 166.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.252 6.4 tt -70.66 -51.62 26.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 128.027 2.531 . . . . 0.0 110.495 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.58 69.35 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 159.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.19 31.74 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 127.004 2.24 . . . . 0.0 109.349 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 25.8 tptt -69.83 -34.62 73.9 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 127.312 2.245 . . . . 0.0 114.372 173.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -47.48 77.62 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 119.972 -1.705 . . . . 0.0 109.609 -168.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.26 76.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.28 -47.77 69.66 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 123.328 1.537 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.263 15.4 mt -67.34 -32.25 73.07 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 112.205 -2.271 . . . . 0.0 114.719 -177.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.32 -31.64 60.69 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 129.907 3.283 . . . . 0.0 111.975 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.21 -11.04 60.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.69 1.196 . . . . 0.0 111.627 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -112.22 24.06 13.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.579 1.552 . . . . 0.0 113.106 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.55 0.946 0 C-N-CA 125.257 1.423 . . . . 0.0 114.01 -172.128 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.46 -41.07 48.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.663 1.585 . . . . 0.0 111.724 159.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.24 -36.27 41.01 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.007 1.723 . . . . 0.0 114.437 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.76 -32.12 68.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.931 2.492 . . . . 0.0 113.176 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.9 7.87 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 C-N-CA 126.572 1.949 . . . . 0.0 110.734 -155.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.91 -30.39 65.32 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.894 1.677 . . . . 0.0 114.419 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -135.22 -39.06 0.76 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 114.058 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.16 -48.88 77.6 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.428 1.891 . . . . 0.0 112.669 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 mmm -58.62 -30.19 67.06 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 119.968 -1.708 . . . . 0.0 112.19 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.89 -38.91 55.9 Favored Glycine 0 C--O 1.223 -0.591 0 C-N-CA 124.169 0.89 . . . . 0.0 112.01 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 1.4 ptmt -66.06 -43.2 88.11 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.493 1.517 . . . . 0.0 107.932 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -71.62 -41.75 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 118.598 2.814 . . . . 0.0 118.598 163.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.77 66.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.635 -1.916 . . . . 0.0 110.348 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -111.31 12.45 21.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.145 1.778 . . . . 0.0 113.481 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.5 ' HG ' HD11 ' A' ' 68' ' ' LEU . 30.6 p -72.14 107.34 4.76 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -175.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 9.21 2.28 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 119.076 -2.265 . . . . 0.0 113.975 -164.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 p -154.14 141.08 19.25 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.92 1.688 . . . . 0.0 108.62 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.77 -35.08 67.37 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 123.358 1.552 . . . . 0.0 110.103 172.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.69 -35.48 74.57 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 125.759 1.624 . . . . 0.0 111.511 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.78 -42.19 47.06 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 164.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.59 -39.68 81.09 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 120.121 1.96 . . . . 0.0 113.523 175.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.07 -33.1 75.0 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 130.039 3.335 . . . . 0.0 113.767 170.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.36 -38.71 63.13 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.952 1.301 . . . . 0.0 111.561 168.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.62 -37.35 83.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.065 1.746 . . . . 0.0 108.675 167.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -69.64 -39.85 76.88 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.465 1.506 . . . . 0.0 112.148 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.19 73.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 169.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -32.06 73.34 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.587 -1.32 . . . . 0.0 111.84 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.41 -56.52 21.01 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 126.229 1.812 . . . . 0.0 109.081 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.5 mmpt? -60.3 -37.77 81.57 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.081 -1.012 . . . . 0.0 113.564 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.1 -46.38 74.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 128.914 2.886 . . . . 0.0 112.777 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.33 -37.81 74.76 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.323 -0.552 0 O-C-N 119.182 -2.199 . . . . 0.0 114.975 -165.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.773 0.321 . . . . 0.0 110.482 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.06 -38.49 82.98 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.298 -0.876 . . . . 0.0 112.562 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.9 m -59.45 -48.12 82.85 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 125.314 1.446 . . . . 0.0 113.259 -172.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.76 -47.2 87.39 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.75 -46.51 89.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.827 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.4 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.67 69.97 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.531 1.158 . . . . 0.0 111.899 -172.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.58 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 113.483 -1.689 . . . . 0.0 111.986 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.71 -42.06 95.53 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 119.805 1.184 . . . . 0.0 111.277 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.42 -29.86 70.09 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.591 -0.843 . . . . 0.0 111.364 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.34 -42.51 68.46 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 130.169 3.387 . . . . 0.0 116.459 166.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.59 -51.63 26.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.836 2.454 . . . . 0.0 109.588 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.67 68.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 160.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.32 -54.2 37.52 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 127.681 2.562 . . . . 0.0 109.905 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.71 -34.71 74.27 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 127.09 2.156 . . . . 0.0 111.941 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -55.68 -46.91 77.52 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 120.671 -1.268 . . . . 0.0 110.071 -172.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -36.7 75.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.23 -47.95 69.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 123.591 1.663 . . . . 0.0 110.499 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD11 ' HG ' ' A' ' 27' ' ' CYS 0.273 15.9 mt -67.53 -32.05 72.57 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 111.627 -2.533 . . . . 0.0 115.491 -177.665 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.25 -31.5 60.82 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 130.348 3.459 . . . . 0.0 111.918 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -28.71 68.92 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.832 158.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -92.61 17.82 9.62 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 124.101 0.875 . . . . 0.0 113.08 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.479 0.977 0 C-N-CA 125.549 1.539 . . . . 0.0 112.929 -175.19 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 112.404 -0.278 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -59.93 146.18 43.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.58 1.152 . . . . 0.0 113.976 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -154.04 169.06 24.41 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.708 1.603 . . . . 0.0 111.492 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -54.46 135.31 45.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.75 1.22 . . . . 0.0 112.61 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -79.13 -11.11 59.97 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp 63.44 -21.04 0.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.462 3.105 . . . . 0.0 117.703 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.67 17.69 5.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.318 1.847 . . . . 0.0 113.487 -173.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.77 166.15 25.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.988 1.715 . . . . 0.0 112.921 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.99 -31.24 50.56 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.43 -41.48 89.12 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.593 -1.317 . . . . 0.0 114.157 -145.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -67.15 -32.83 74.2 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.681 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.63 -36.32 62.9 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.974 0.91 . . . . 0.0 112.482 171.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.78 -20.63 45.79 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.66 -0.65 . . . . 0.0 111.576 -170.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.79 -37.24 56.17 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.574 1.55 . . . . 0.0 113.152 159.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.13 -40.86 59.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.181 1.792 . . . . 0.0 113.551 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.97 -34.76 72.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.148 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.36 8.7 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 C-N-CA 126.958 2.103 . . . . 0.0 110.747 -155.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.91 -38.39 79.54 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.425 1.89 . . . . 0.0 113.653 -167.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.43 -27.42 1.56 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.504 1.521 . . . . 0.0 114.084 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -48.42 81.86 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 125.892 1.677 . . . . 0.0 112.769 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.5 mmm -58.44 -30.92 67.29 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 119.908 -1.745 . . . . 0.0 112.266 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.89 57.41 Favored Glycine 0 C--O 1.218 -0.9 0 C-N-CA 124.676 1.131 . . . . 0.0 112.112 168.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 1.1 ptmt -69.22 -43.2 74.56 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.974 1.709 . . . . 0.0 108.262 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 pt -69.98 -41.79 79.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.326 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 166.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.81 -22.4 66.61 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.048 1.295 . . . . 0.0 111.938 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -104.64 12.38 33.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.676 1.99 . . . . 0.0 113.069 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' SG ' HD13 ' A' ' 68' ' ' LEU . 30.1 p -69.7 -21.57 63.49 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 119.783 -1.823 . . . . 0.0 113.977 -165.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 61.51 -5.93 0.13 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 130.176 3.39 . . . . 0.0 116.831 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -153.83 137.22 15.81 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.727 1.611 . . . . 0.0 107.238 -169.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 -36.55 76.62 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 117.819 -1.553 . . . . 0.0 109.549 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.6 -36.84 77.09 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 126.232 1.813 . . . . 0.0 111.466 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -41.7 48.12 Favored Glycine 0 C--O 1.214 -1.145 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 164.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.65 -39.2 79.92 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 119.89 1.845 . . . . 0.0 113.807 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.73 -32.76 74.58 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 129.918 3.287 . . . . 0.0 114.458 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.2 -38.8 63.49 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.756 1.223 . . . . 0.0 111.27 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.58 -37.09 82.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.488 1.515 . . . . 0.0 109.195 167.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.95 -39.42 76.06 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 125.269 1.427 . . . . 0.0 112.228 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.38 78.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.587 170.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -33.84 76.36 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.588 1.085 . . . . 0.0 112.98 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -59.59 -50.39 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.935 2.094 . . . . 0.0 108.437 167.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.3 mmpt? -69.35 -34.66 74.92 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -62.66 -43.76 97.99 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.811 2.844 . . . . 0.0 112.461 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -69.14 -47.91 63.82 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.583 1.553 . . . . 0.0 114.763 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.73 -2.72 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 120.142 -1.599 . . . . 0.0 114.775 -149.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 -31.43 31.26 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.784 2.034 . . . . 0.0 115.361 161.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -74.24 -13.43 60.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 130.699 3.6 . . . . 0.0 112.274 175.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -144.21 -143.81 0.15 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.908 2.483 . . . . 0.0 109.143 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.58 -40.25 1.42 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -165.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.409 0.0 OUTLIER 53.84 2.97 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 129.932 3.293 . . . . 0.0 117.846 178.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER 39.71 -165.17 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.861 2.064 . . . . 0.0 113.841 -178.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -62.76 -45.3 93.34 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 117.336 -3.353 . . . . 0.0 115.998 154.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -59.7 -48.55 81.24 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.42 1.088 . . . . 0.0 113.272 -161.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -60.85 -44.62 96.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.12 -46.53 77.24 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.102 -163.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.5 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 175.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -49.87 68.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.73 1.252 . . . . 0.0 112.055 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -45.97 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 113.059 -1.882 . . . . 0.0 112.835 175.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -65.03 -42.25 94.53 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 119.958 1.254 . . . . 0.0 110.714 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.0 -29.93 70.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.461 -173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.63 -44.68 63.93 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 129.538 3.135 . . . . 0.0 116.614 167.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.36 -51.65 34.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.426 2.29 . . . . 0.0 110.016 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.65 70.64 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 162.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.91 -55.58 25.06 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 128.157 2.789 . . . . 0.0 109.985 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -69.79 -34.74 74.13 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 127.063 2.145 . . . . 0.0 112.868 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -56.5 -48.06 77.96 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.808 -1.183 . . . . 0.0 109.752 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.18 75.03 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.25 -47.66 70.07 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 123.483 1.611 . . . . 0.0 110.096 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD13 ' SG ' ' A' ' 27' ' ' CYS . 16.4 mt -67.61 -31.84 72.14 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 111.951 -2.386 . . . . 0.0 115.502 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.32 -31.65 60.68 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 130.232 3.413 . . . . 0.0 111.579 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -66.26 -28.56 68.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.777 157.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -93.54 23.77 4.42 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.66 -11.45 2.14 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 127.792 2.437 . . . . 0.0 115.394 -173.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.91 52.48 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.041 1 C-N-CA 131.85 4.06 . . . . 0.0 115.509 171.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -103.79 172.44 6.81 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.416 2.686 . . . . 0.0 113.544 -171.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.8 t -49.26 139.69 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.761 1.624 . . . . 0.0 114.04 -172.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 60.18 -35.56 0.08 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 130.831 3.652 . . . . 0.0 117.546 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.76 -26.25 68.55 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.531 1.132 . . . . 0.0 111.526 163.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.2 p -148.05 11.48 0.94 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.89 2.076 . . . . 0.0 114.093 -175.07 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.966 0 N-CA-C 112.339 -0.304 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -133.42 4.7 3.7 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -170.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -69.26 -23.41 63.84 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.7 -1.25 . . . . 0.0 112.98 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.1 mmt 56.74 -169.33 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.648 1.979 . . . . 0.0 114.012 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.08 -6.93 14.68 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -32.89 110.83 0.09 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.488 2.315 . . . . 0.0 114.865 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 63.48 4.37 1.74 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 127.767 2.427 . . . . 0.0 116.787 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.46 149.89 25.08 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.476 1.035 . . . . 0.0 113.314 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -63.22 -31.11 72.18 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.171 2.188 . . . . 0.0 116.105 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -70.78 -18.53 62.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.499 1.92 . . . . 0.0 113.944 -159.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -32.72 68.85 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.831 0.452 . . . . 0.0 110.926 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -22.25 58.77 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -102.57 -22.95 13.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 126.337 1.855 . . . . 0.0 112.388 -169.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.56 -25.83 54.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.343 1.457 . . . . 0.0 114.142 159.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.05 79.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.618 1.967 . . . . 0.0 113.755 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.92 -30.91 68.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.66 2.384 . . . . 0.0 113.71 -160.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.252 0.4 OUTLIER -134.98 13.7 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.928 2.491 . . . . 0.0 110.469 -156.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.51 -17.91 26.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.03 1.732 . . . . 0.0 114.532 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -130.45 -59.6 1.02 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.731 1.213 . . . . 0.0 113.659 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -57.38 -46.54 83.31 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.509 1.124 . . . . 0.0 112.287 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.6 mmm -58.48 -35.92 72.95 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.032 1.333 . . . . 0.0 112.504 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.8 57.04 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 123.861 0.743 . . . . 0.0 111.322 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 23' ' ' LYS 0.278 0.1 OUTLIER -62.0 -43.26 99.22 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 124.686 1.194 . . . . 0.0 109.518 -178.285 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -71.44 -42.03 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 167.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.96 -22.17 66.81 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.09 0.859 . . . . 0.0 110.624 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.29 12.5 21.68 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.193 2.197 . . . . 0.0 114.3 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 68' ' ' LEU . 27.8 p -65.39 -19.15 65.82 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 120.238 -1.539 . . . . 0.0 113.995 -169.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 58.97 -6.91 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 131.855 4.062 . . . . 0.0 116.856 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -153.88 139.5 17.88 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 125.855 1.662 . . . . 0.0 107.41 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -35.61 74.43 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 123.352 1.548 . . . . 0.0 109.727 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.64 -35.02 76.72 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 126.214 1.806 . . . . 0.0 111.271 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.9 -42.56 44.91 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 118.518 -1.156 . . . . 0.0 115.981 163.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -58.66 -39.32 80.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 120.37 2.085 . . . . 0.0 113.76 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.52 -33.09 74.81 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 129.533 3.133 . . . . 0.0 114.172 169.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.41 -38.68 63.0 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.67 1.188 . . . . 0.0 111.454 168.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.62 -37.21 83.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.483 1.513 . . . . 0.0 110.013 167.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.13 -44.71 79.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.396 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.74 77.63 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.345 170.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.5 73.78 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.496 -1.377 . . . . 0.0 112.291 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' HH ' HD22 ' A' ' 49' ' ' LEU . 76.8 t80 -59.7 -56.14 25.57 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.619 1.567 . . . . 0.0 109.503 167.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.1 mmpt? -59.88 -36.17 76.36 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.946 -1.096 . . . . 0.0 113.67 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.9 -36.89 83.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 129.573 3.149 . . . . 0.0 113.126 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -70.49 -48.52 55.33 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 156.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.93 -13.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 119.594 -1.941 . . . . 0.0 115.357 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -68.1 -29.87 68.91 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 163.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.79 -16.08 17.43 Favored 'General case' 0 N--CA 1.482 1.168 1 C-N-CA 132.994 4.517 . . . . 0.0 113.154 178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 t 48.54 114.45 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 N-CA-C 119.289 3.07 . . . . 0.0 119.289 152.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -126.9 12.24 7.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.748 140.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD22 ' HH ' ' A' ' 40' ' ' TYR . 3.2 tm? -67.02 85.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 127.652 2.381 . . . . 0.0 111.185 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -52.64 168.94 0.1 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.214 154.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.92 -39.62 92.66 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.462 -0.774 . . . . 0.0 111.959 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.4 m -59.49 -48.45 81.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.056 1.742 . . . . 0.0 113.426 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.85 -45.34 94.88 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -62.05 -46.47 88.99 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 124.083 0.864 . . . . 0.0 111.327 -166.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -46.56 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 122.442 1.115 . . . . 0.0 112.308 -177.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.83 69.35 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.897 -1.501 . . . . 0.0 112.513 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -46.09 82.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 113.746 -1.57 . . . . 0.0 113.523 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.95 -37.29 78.75 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 119.686 1.13 . . . . 0.0 110.57 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.5 -30.0 68.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 112.048 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.75 67.86 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.528 3.131 . . . . 0.0 115.681 167.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.6 -51.68 26.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.319 2.248 . . . . 0.0 110.081 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.7 69.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 161.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.4 35.13 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 128.253 2.835 . . . . 0.0 110.159 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -69.67 -34.73 74.38 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 127.269 2.228 . . . . 0.0 112.474 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -56.07 -49.47 73.7 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 120.973 -1.08 . . . . 0.0 109.972 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.14 71.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.16 -47.74 70.12 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.302 1.525 . . . . 0.0 110.087 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD11 ' SG ' ' A' ' 27' ' ' CYS 0.254 16.4 mt -67.49 -32.54 73.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.435 -178.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 129.463 3.105 . . . . 0.0 110.945 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.06 -31.96 69.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.004 159.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -74.51 -33.1 62.71 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.095 1.426 . . . . 0.0 114.206 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 t70 42.15 18.59 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 131.435 3.894 . . . . 0.0 114.593 -167.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -69.53 147.03 51.37 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.575 1.15 . . . . 0.0 113.615 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -138.08 160.37 39.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.043 2.137 . . . . 0.0 112.095 -164.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.05 3.61 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -160.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -152.78 -28.61 0.15 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -156.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.7 -34.77 65.0 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.959 0.8 . . . . 0.0 110.629 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -143.81 7.88 1.47 Allowed 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.257 1.455 0 C-N-CA 124.56 1.144 . . . . 0.0 112.997 -174.715 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 62.43 -21.93 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -137.14 3.63 2.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.99 1.316 . . . . 0.0 114.404 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -83.89 158.17 21.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.292 1.037 . . . . 0.0 113.298 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.91 -25.14 66.54 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.93 -14.25 32.76 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.078 1.351 . . . . 0.0 113.694 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -63.22 -12.8 31.31 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.389 1.475 . . . . 0.0 114.239 170.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -135.88 154.61 51.1 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.619 1.567 . . . . 0.0 112.236 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -72.15 -31.42 65.95 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.246 1.418 . . . . 0.0 114.385 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -65.01 -17.29 64.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.263 1.825 . . . . 0.0 114.983 -165.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -32.78 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.292 0.091 . . . . 0.0 111.054 172.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.21 -22.2 45.23 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -93.4 -22.35 18.97 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 126.235 1.814 . . . . 0.0 113.25 -175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -76.67 -25.82 54.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.718 1.207 . . . . 0.0 113.634 157.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.18 94.25 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.541 1.536 . . . . 0.0 113.57 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 m -59.26 -33.02 70.54 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 111.809 -2.45 . . . . 0.0 113.351 -153.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.12 2.81 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 127.618 2.367 . . . . 0.0 111.164 -157.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.56 -30.37 65.8 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.0 1.72 . . . . 0.0 113.486 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.3 -41.35 0.89 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.227 1.411 . . . . 0.0 114.255 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -48.97 77.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.185 2.194 . . . . 0.0 112.924 -174.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.9 mmm -58.51 -30.53 67.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 119.855 -1.778 . . . . 0.0 112.353 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.94 54.17 Favored Glycine 0 C--O 1.221 -0.712 0 C-N-CA 125.077 1.322 . . . . 0.0 111.146 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 23' ' ' LYS 0.281 0.9 OUTLIER -65.74 -43.18 89.74 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.952 1.701 . . . . 0.0 107.914 -173.624 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -71.49 -42.52 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 116.982 2.216 . . . . 0.0 116.982 165.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.24 66.76 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.936 1.243 . . . . 0.0 111.237 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.0 12.44 22.09 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.39 2.276 . . . . 0.0 113.901 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 68' ' ' LEU . 30.7 p -63.44 -20.04 65.23 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.57 -5.97 0.05 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 131.246 3.818 . . . . 0.0 117.112 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.92 139.29 17.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.147 1.779 . . . . 0.0 107.533 -168.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.66 -34.49 72.08 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 123.534 1.635 . . . . 0.0 109.699 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -61.8 -36.15 80.28 Favored 'General case' 0 N--CA 1.421 -1.91 0 C-N-CA 126.862 2.065 . . . . 0.0 110.923 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.21 46.48 Favored Glycine 0 C--O 1.212 -1.242 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 163.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.81 -38.03 77.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 120.178 1.989 . . . . 0.0 113.604 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.58 -33.04 74.97 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 129.721 3.208 . . . . 0.0 113.9 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.36 -38.91 63.08 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.588 1.155 . . . . 0.0 111.519 169.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.6 -38.46 87.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.519 1.528 . . . . 0.0 109.652 167.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -65.86 -43.69 87.68 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.184 1.394 . . . . 0.0 112.033 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.7 77.39 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.113 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.24 74.91 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.59 -1.319 . . . . 0.0 111.54 -175.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -56.26 24.16 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.354 1.862 . . . . 0.0 109.968 169.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.2 mmpt? -60.59 -37.54 81.71 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 56.2 mmtt -67.1 -42.04 85.25 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.004 2.921 . . . . 0.0 112.085 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -70.37 -44.99 66.95 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 t -48.35 -43.99 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 127.064 2.145 . . . . 0.0 113.686 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 37.4 pttt -69.42 -33.89 73.64 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.155 1.782 . . . . 0.0 114.054 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.8 -14.02 43.42 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.41 3.084 . . . . 0.0 111.104 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -150.37 -133.04 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.61 172.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -137.12 56.64 1.78 Allowed 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 125.306 1.442 . . . . 0.0 111.794 -158.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.43 91.78 0.08 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 123.194 1.473 . . . . 0.0 111.2 166.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -48.4 167.91 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.738 1.615 . . . . 0.0 112.778 162.421 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.21 -36.44 81.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -62.92 -44.57 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.9 1.68 . . . . 0.0 113.181 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.39 -47.22 86.81 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.091 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.4 -46.59 89.45 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.408 -162.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -46.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 173.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -49.67 69.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 123.003 1.382 . . . . 0.0 110.401 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -46.02 82.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 112.163 -2.289 . . . . 0.0 114.279 172.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.95 1.705 . . . . 0.0 112.07 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.07 -28.3 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.026 0.917 . . . . 0.0 111.151 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.5 65.35 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 129.299 3.039 . . . . 0.0 116.619 166.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.03 -51.54 31.29 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 127.826 2.45 . . . . 0.0 109.789 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.65 69.71 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 161.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.68 -56.29 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 128.202 2.81 . . . . 0.0 110.203 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -69.83 -34.64 73.93 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.245 2.218 . . . . 0.0 113.221 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -55.95 -48.46 75.72 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.608 -1.308 . . . . 0.0 109.867 -172.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.17 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.1 -47.67 70.49 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 122.978 1.37 . . . . 0.0 109.918 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD12 ' SG ' ' A' ' 27' ' ' CYS . 16.1 mt -67.53 -32.56 73.43 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 112.306 -2.225 . . . . 0.0 115.126 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.12 -32.06 61.29 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 130.124 3.37 . . . . 0.0 111.657 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.11 -13.09 61.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.336 1.454 . . . . 0.0 111.9 158.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -116.1 33.84 5.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.629 1.172 . . . . 0.0 113.886 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -51.65 -16.09 0.58 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 128.391 2.677 . . . . 0.0 116.305 -167.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -39.31 123.37 1.41 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.517 2.727 . . . . 0.0 113.654 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -95.76 120.61 36.32 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -155.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.8 t 54.96 -55.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 129.415 3.086 . . . . 0.0 115.294 -160.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.45 -27.96 0.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 128.266 2.626 . . . . 0.0 113.961 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -163.97 -56.93 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.136 1.374 . . . . 0.0 112.545 -173.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 p -165.0 17.0 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -159.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.606 1.562 . . . . 0.0 114.148 -173.36 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -60.28 -19.97 57.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -73.75 0.75 12.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.82 1.648 . . . . 0.0 115.233 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.4 mtt 62.0 -178.8 0.13 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.521 1.928 . . . . 0.0 114.389 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.61 -39.68 94.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.281 1.033 . . . . 0.0 113.155 -164.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 tp -150.93 -32.56 0.16 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.233 1.813 . . . . 0.0 113.112 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -144.8 153.87 42.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.827 1.651 . . . . 0.0 112.502 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -62.81 -15.88 55.88 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.96 -31.31 58.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.714 1.606 . . . . 0.0 114.235 -174.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -73.75 -19.23 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -151.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -32.93 69.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.006 173.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.36 -27.31 34.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.42 -24.34 60.25 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 124.628 1.171 . . . . 0.0 109.056 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -77.06 -45.88 25.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.559 1.544 . . . . 0.0 113.422 159.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.5 12.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 126.57 1.948 . . . . 0.0 114.656 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -58.79 -28.08 65.63 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.543 2.737 . . . . 0.0 111.894 -174.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.59 13.22 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 129.004 2.922 . . . . 0.0 111.13 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -99.89 -6.15 27.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.47 1.908 . . . . 0.0 114.48 -175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.71 -63.57 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.398 1.479 . . . . 0.0 112.791 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -59.45 -44.19 93.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.728 1.211 . . . . 0.0 112.866 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.1 mmm -58.39 -35.29 71.79 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.626 -1.296 . . . . 0.0 113.048 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -38.93 55.01 Favored Glycine 0 C--O 1.216 -0.98 0 C-N-CA 124.097 0.856 . . . . 0.0 111.546 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.258 0.1 OUTLIER -65.03 -43.29 92.88 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.808 1.304 . . . . 0.0 109.118 -175.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -71.33 -41.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.24 67.49 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.812 -1.18 . . . . 0.0 112.392 174.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -102.35 12.11 37.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.794 2.038 . . . . 0.0 113.149 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 68' ' ' LEU . 29.8 p -70.79 -19.4 62.69 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 119.562 -1.961 . . . . 0.0 114.117 -164.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.12 -6.11 0.19 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 130.311 3.445 . . . . 0.0 116.247 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.89 138.28 16.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 125.975 1.71 . . . . 0.0 107.409 -170.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -35.6 74.52 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.337 -1.345 . . . . 0.0 109.317 175.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -62.35 -35.47 79.21 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 125.496 1.518 . . . . 0.0 111.459 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -40.82 50.7 Favored Glycine 0 C--O 1.212 -1.271 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 164.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.68 -40.6 84.03 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 120.241 2.021 . . . . 0.0 113.864 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.17 -33.36 74.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 130.146 3.378 . . . . 0.0 114.411 168.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.3 -40.0 62.55 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.661 1.184 . . . . 0.0 111.427 168.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.58 -37.11 82.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.6 1.56 . . . . 0.0 109.402 168.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.07 -44.94 78.83 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.356 1.062 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.44 70.02 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.278 171.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -32.19 73.36 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 120.805 -1.184 . . . . 0.0 112.766 -176.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -59.31 -56.39 22.64 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.605 1.962 . . . . 0.0 109.37 166.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.5 mmpt? -61.6 -35.8 78.89 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.018 -1.051 . . . . 0.0 113.593 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -66.47 -35.15 79.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.955 3.302 . . . . 0.0 113.029 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -69.69 -44.83 69.64 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 125.001 1.32 . . . . 0.0 113.348 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.66 -17.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.59 -28.87 37.0 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.949 1.7 . . . . 0.0 115.389 167.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -86.64 -12.08 49.49 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 130.937 3.695 . . . . 0.0 111.554 -173.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 t -153.84 -152.02 0.39 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.958 0.903 . . . . 0.0 112.497 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -131.21 40.4 3.45 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.394 2.278 . . . . 0.0 112.717 -152.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.08 137.92 9.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 123.682 1.706 . . . . 0.0 109.376 159.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' N ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -116.6 172.98 6.87 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.034 178.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.47 -40.27 65.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.561 1.172 . . . . 0.0 109.979 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.7 m -60.09 -42.79 95.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.516 ' N ' ' HG ' ' A' ' 16' ' ' SER 0.254 0.0 OUTLIER -65.83 -50.47 64.51 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.629 2.013 . . . . 0.0 109.044 165.103 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.1 -46.55 77.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -154.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -46.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 122.808 1.289 . . . . 0.0 111.913 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -49.57 70.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.395 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -45.8 83.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 113.31 -1.768 . . . . 0.0 112.559 176.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -33.43 74.84 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 121.165 1.802 . . . . 0.0 111.574 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.42 -33.4 75.62 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.86 68.71 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 130.347 3.459 . . . . 0.0 115.182 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.82 -51.51 47.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.923 2.089 . . . . 0.0 110.162 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.28 -30.6 68.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.365 162.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.44 36.72 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 128.066 2.746 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -69.7 -34.8 74.4 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 126.115 1.766 . . . . 0.0 114.1 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -55.8 -47.52 76.99 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.469 -1.394 . . . . 0.0 109.973 -170.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.2 76.22 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.23 -47.75 69.85 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.02 1.391 . . . . 0.0 110.118 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 HD13 ' SG ' ' A' ' 27' ' ' CYS . 15.3 mt -67.66 -31.9 72.2 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 111.855 -2.429 . . . . 0.0 115.515 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 129.741 3.216 . . . . 0.0 111.945 173.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -20.07 63.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.32 1.048 . . . . 0.0 110.974 158.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -104.37 24.64 11.26 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.7 -25.57 18.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.025 1.73 . . . . 0.0 114.412 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -94.3 84.62 4.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.909 1.684 . . . . 0.0 111.096 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -81.63 110.77 17.3 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.966 1.707 . . . . 0.0 111.664 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.3 t 59.6 -53.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 129.497 3.119 . . . . 0.0 115.483 -168.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.56 -28.98 0.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 128.774 2.829 . . . . 0.0 113.487 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -165.39 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.014 1.725 . . . . 0.0 112.936 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 p -169.63 26.88 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.687 1.195 . . . . 0.0 113.784 -160.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.061 1.344 . . . . 0.0 112.7 -164.196 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -136.64 12.06 3.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.609 1.163 . . . . 0.0 114.116 -170.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -151.04 138.3 19.34 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.266 1.426 . . . . 0.0 111.968 -177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt 55.95 169.05 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.428 2.291 . . . . 0.0 116.086 -173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.08 -17.2 55.6 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.63 1.172 . . . . 0.0 113.054 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt 61.53 2.98 0.74 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.874 2.47 . . . . 0.0 115.6 -174.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -156.93 115.28 3.27 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.069 2.148 . . . . 0.0 109.711 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -60.45 -30.9 69.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.67 -31.09 65.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.508 1.923 . . . . 0.0 115.286 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -74.41 -10.15 59.29 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 115.367 1.618 . . . . 0.0 115.367 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -58.44 -33.3 69.56 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.806 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.488 0.0 OUTLIER -81.63 -22.11 37.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.75 -24.91 22.54 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.726 2.41 . . . . 0.0 114.02 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.95 -37.37 55.42 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.162 1.785 . . . . 0.0 112.631 164.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.41 1.54 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.023 2.529 . . . . 0.0 115.243 172.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -59.04 -32.46 69.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.129 2.572 . . . . 0.0 113.133 -169.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.12 5.96 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 127.992 2.517 . . . . 0.0 110.527 -157.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.02 -29.51 65.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.27 1.828 . . . . 0.0 114.085 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.29 -38.69 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.239 1.416 . . . . 0.0 114.128 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -47.01 83.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.34 2.256 . . . . 0.0 113.738 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.2 mmm -58.44 -31.13 67.47 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 119.687 -1.883 . . . . 0.0 111.887 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.16 -39.01 54.05 Favored Glycine 0 C--O 1.224 -0.503 0 C-N-CA 125.094 1.33 . . . . 0.0 112.27 169.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 1.0 OUTLIER -67.62 -43.18 81.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 125.664 1.586 . . . . 0.0 107.754 -173.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -41.51 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 168.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.19 66.95 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.518 -1.364 . . . . 0.0 112.106 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -102.83 12.3 36.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.798 2.439 . . . . 0.0 112.867 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' SG ' HD12 ' A' ' 68' ' ' LEU . 29.2 p -69.64 -22.15 63.49 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 120.091 -1.631 . . . . 0.0 113.336 -165.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 61.13 -6.77 0.1 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 131.197 3.799 . . . . 0.0 116.899 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 p -154.01 139.23 17.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 126.131 1.772 . . . . 0.0 107.501 -169.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.24 -36.48 74.52 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.43 -1.708 . . . . 0.0 109.351 175.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -60.94 -37.14 81.33 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 126.196 1.798 . . . . 0.0 111.368 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -40.87 51.05 Favored Glycine 0 C--O 1.213 -1.159 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 164.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.77 -40.32 83.58 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 120.574 2.187 . . . . 0.0 113.422 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 129.877 3.271 . . . . 0.0 114.075 169.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.9 -39.33 63.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.583 1.153 . . . . 0.0 111.712 167.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.64 -37.3 83.51 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.113 1.365 . . . . 0.0 109.322 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -68.22 -42.16 80.19 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 125.204 1.401 . . . . 0.0 112.227 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.58 74.83 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.913 169.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -32.38 73.62 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 119.74 1.155 . . . . 0.0 111.546 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.54 -56.36 22.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.052 2.141 . . . . 0.0 108.318 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 1.3 mmpm? -62.05 -38.51 89.0 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 50.7 mmtt -67.06 -49.27 65.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 128.803 2.841 . . . . 0.0 112.645 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.37 -40.68 73.85 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.33 -30.22 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 O-C-N 119.255 -2.153 . . . . 0.0 116.203 -163.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 30.9 pttt -67.41 -34.03 76.4 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 169.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.1 -27.65 61.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.388 3.475 . . . . 0.0 112.579 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 t -129.46 -153.63 0.58 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 111.937 -2.392 . . . . 0.0 112.333 -157.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -129.14 27.28 5.39 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.187 1.795 . . . . 0.0 114.45 -161.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.42 122.9 7.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.933 1.349 . . . . 0.0 109.693 160.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -107.29 179.93 4.11 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 129.217 3.007 . . . . 0.0 108.57 174.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -54.35 -41.59 69.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.26 -1.525 . . . . 0.0 111.902 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -59.79 -48.46 81.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.29 -46.08 90.36 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.677 1.58 . . . . 0.0 109.595 174.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -46.44 85.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.223 0.952 . . . . 0.0 111.909 -160.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.54 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.72 70.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 122.635 1.207 . . . . 0.0 111.795 -172.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -45.62 83.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.929 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -64.38 -42.08 96.34 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.108 0.867 . . . . 0.0 111.152 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.25 -29.39 69.62 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.42 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.24 67.19 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 129.435 3.094 . . . . 0.0 116.95 166.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.43 -51.75 33.34 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 127.649 2.38 . . . . 0.0 109.861 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.53 69.03 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.7 -55.43 28.9 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 128.211 2.815 . . . . 0.0 109.803 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.256 5.0 tptt -69.84 -34.58 73.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 126.69 1.996 . . . . 0.0 112.785 175.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -55.9 -48.11 76.21 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 120.744 -1.223 . . . . 0.0 110.046 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.18 75.29 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -67.27 -47.66 70.02 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 123.303 1.525 . . . . 0.0 110.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' SG ' ' A' ' 27' ' ' CYS . 16.7 mt -67.51 -32.38 73.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 112.042 -2.344 . . . . 0.0 115.425 -177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.14 -31.78 61.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 130.114 3.366 . . . . 0.0 111.817 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -19.73 63.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.125 158.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -103.78 25.58 9.65 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.086 0.954 . . . . 0.0 113.548 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.78 -22.55 24.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.659 1.584 . . . . 0.0 114.471 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -126.51 129.97 49.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.46 2.704 . . . . 0.0 110.051 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.12 156.1 38.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -148.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.16 143.0 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.022 1.729 . . . . 0.0 112.506 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 64.0 -37.59 0.19 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 130.261 3.424 . . . . 0.0 117.116 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.73 -23.64 67.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.911 0.885 . . . . 0.0 110.738 166.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -141.79 50.38 1.56 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.07 1.748 . . . . 0.0 112.937 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.0 p90 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.099 1.36 . . . . 0.0 114.222 177.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -136.11 14.86 3.29 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.752 1.221 . . . . 0.0 114.033 -172.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -62.44 155.5 25.28 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.702 1.201 . . . . 0.0 114.011 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -63.49 160.65 15.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.774 1.63 . . . . 0.0 113.762 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.67 -15.15 63.43 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.649 1.58 . . . . 0.0 114.89 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.27 -1.71 1.17 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.83 10.35 36.53 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.593 1.557 . . . . 0.0 113.308 175.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 66.57 -19.26 0.11 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.642 2.777 . . . . 0.0 117.994 165.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -77.89 -31.29 51.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.639 1.176 . . . . 0.0 114.064 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -57.89 -51.1 70.99 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -161.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -65.23 -33.02 75.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.522 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.74 -30.57 69.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.114 0.959 . . . . 0.0 112.993 174.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -83.13 -19.32 36.92 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.407 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.88 -43.28 36.47 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.387 1.475 . . . . 0.0 113.309 156.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.22 -34.57 57.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.642 1.977 . . . . 0.0 113.968 -172.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 53' ' ' ASP . 1.5 m -58.95 -31.44 68.7 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.677 2.791 . . . . 0.0 113.297 -170.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.258 0.4 OUTLIER -128.07 16.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 C-N-CA 127.781 2.432 . . . . 0.0 110.468 -161.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -86.44 -24.33 25.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.995 1.718 . . . . 0.0 114.611 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -134.13 -54.2 0.86 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -57.26 -40.77 78.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.815 1.188 . . . . 0.0 112.3 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 mmm -58.63 -36.67 74.45 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.666 1.986 . . . . 0.0 113.313 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.27 -39.02 53.14 Favored Glycine 0 C--O 1.224 -0.501 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -56.14 -48.2 76.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.961 2.104 . . . . 0.0 108.528 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -71.69 -46.24 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 174.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -21.86 66.51 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.9 t -110.48 12.23 22.95 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 126.969 2.108 . . . . 0.0 113.413 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.474 ' SG ' HD12 ' A' ' 68' ' ' LEU . 22.5 p -68.86 -22.07 64.23 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.506 -1.996 . . . . 0.0 113.846 -167.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.63 -3.74 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 130.28 3.432 . . . . 0.0 116.111 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 p -153.88 140.41 18.82 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 126.396 1.879 . . . . 0.0 107.376 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -36.25 71.09 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 117.581 -1.647 . . . . 0.0 109.767 175.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.44 -36.29 75.65 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 126.27 1.828 . . . . 0.0 111.028 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.17 -41.57 46.58 Favored Glycine 0 C--O 1.214 -1.111 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 165.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.8 -38.51 78.76 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.141 1.971 . . . . 0.0 113.851 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 -32.69 74.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 129.769 3.227 . . . . 0.0 114.031 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.48 -41.8 65.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.325 1.05 . . . . 0.0 110.02 168.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.69 -37.19 83.21 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.626 1.57 . . . . 0.0 109.7 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -67.49 -45.07 76.93 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.403 1.081 . . . . 0.0 111.387 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.89 -48.93 76.84 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.162 171.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.05 73.25 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.955 -1.09 . . . . 0.0 111.901 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.54 -56.35 23.06 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.991 2.116 . . . . 0.0 109.023 169.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 2.1 mmpt? -60.52 -38.67 85.15 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 57.9 mmtt -66.92 -46.52 74.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 129.54 3.136 . . . . 0.0 112.998 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -70.3 -43.96 69.28 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 119.513 1.051 . . . . 0.0 113.499 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 t -53.25 -38.24 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -162.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 33.9 pttt -59.74 -32.52 70.63 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 171.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.83 -9.81 54.91 Favored 'General case' 0 N--CA 1.479 1.019 1 C-N-CA 132.187 4.195 . . . . 0.0 112.372 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 t -142.54 -152.68 0.42 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.545 1.138 . . . . 0.0 112.527 -172.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -130.42 30.08 4.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.845 2.058 . . . . 0.0 114.245 -157.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.0 129.64 17.64 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.343 1.544 . . . . 0.0 109.73 158.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.03 -177.74 3.2 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 130.067 3.347 . . . . 0.0 108.489 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.33 -42.68 78.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 119.766 -1.834 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.96 -43.38 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.845 1.658 . . . . 0.0 115.198 -170.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.25 -47.31 74.17 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 120.765 1.621 . . . . 0.0 108.79 172.293 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.03 -46.41 89.3 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.54 1.15 . . . . 0.0 111.81 -153.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -46.3 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.95 1.7 . . . . 0.0 113.965 176.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -49.22 71.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 123.029 1.395 . . . . 0.0 110.136 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -45.9 83.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 112.628 -2.078 . . . . 0.0 110.334 174.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -61.04 -35.13 76.09 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 122.092 2.224 . . . . 0.0 113.955 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.01 -34.75 77.09 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.91 64.24 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 129.542 3.137 . . . . 0.0 115.686 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.74 -51.79 25.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.731 2.812 . . . . 0.0 110.425 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.33 -30.69 69.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 160.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.07 -57.0 16.16 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 129.326 3.346 . . . . 0.0 109.258 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -69.77 -34.64 74.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.881 2.072 . . . . 0.0 112.803 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -56.03 -48.94 75.02 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 120.639 -1.288 . . . . 0.0 109.617 -173.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.41 -36.2 73.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.07 -47.73 70.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 123.73 1.728 . . . . 0.0 110.152 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.474 HD12 ' SG ' ' A' ' 27' ' ' CYS 0.26 17.4 mt -67.55 -32.73 73.7 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.325 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.25 -31.44 60.8 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 130.46 3.504 . . . . 0.0 112.137 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.27 -28.68 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.079 157.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -91.36 19.05 6.38 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.82 -20.22 55.6 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.041 1.736 . . . . 0.0 114.243 -170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -121.62 130.28 53.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.869 2.067 . . . . 0.0 110.608 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -131.53 157.82 42.56 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -154.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.23 136.59 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.784 1.633 . . . . 0.0 112.358 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 59.91 -21.3 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.313 1 C-N-CA 132.118 4.167 . . . . 0.0 118.418 166.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -33.5 76.08 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.477 1.111 . . . . 0.0 109.548 166.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.23 1.59 0.96 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 170.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.252 1.195 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -165.22 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 m -138.26 19.62 2.77 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.204 1.402 . . . . 0.0 112.943 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -75.89 -1.35 24.96 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.39 1.876 . . . . 0.0 115.654 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.7 mtt -138.22 159.08 42.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.699 1.6 . . . . 0.0 113.14 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.0 -6.98 57.66 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 115.484 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.1 tp 62.77 105.31 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.945 2.498 . . . . 0.0 113.342 -170.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 60.54 14.22 4.73 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 127.134 2.174 . . . . 0.0 114.961 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.3 p90 48.1 -17.12 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.504 3.922 . . . . 0.0 120.054 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -66.75 -31.35 71.94 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.032 2.133 . . . . 0.0 115.655 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.24 -21.15 66.28 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -155.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -33.0 69.03 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.855 0.359 . . . . 0.0 111.666 173.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -22.92 44.96 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -97.85 -19.61 18.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.936 1.294 . . . . 0.0 112.305 -170.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.92 -34.13 59.89 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.122 1.769 . . . . 0.0 112.546 160.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.51 73.91 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.362 2.265 . . . . 0.0 114.503 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.01 -28.78 66.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.048 2.139 . . . . 0.0 114.328 -162.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 5.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.731 2.412 . . . . 0.0 110.2 -154.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.42 -31.32 69.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.331 1.853 . . . . 0.0 113.699 -167.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -126.99 -37.55 2.09 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -48.91 78.26 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.441 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.5 mmm -58.61 -30.83 67.54 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.163 -1.586 . . . . 0.0 111.957 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.86 54.3 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 124.47 1.033 . . . . 0.0 111.693 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -66.65 -43.26 85.07 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 126.112 1.765 . . . . 0.0 107.797 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -71.5 -41.56 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 166.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -21.87 66.84 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.561 -1.337 . . . . 0.0 110.972 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 p -108.86 12.2 25.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.976 1.31 . . . . 0.0 113.771 173.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.6 p -74.4 105.51 5.58 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 120.939 1.699 . . . . 0.0 106.465 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.39 9.56 2.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.606 -1.934 . . . . 0.0 113.309 -166.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 p -153.99 139.2 17.48 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 125.972 1.709 . . . . 0.0 108.443 -164.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -34.4 68.86 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 123.87 1.795 . . . . 0.0 109.972 173.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -58.78 -37.4 76.23 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.846 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.92 57.06 Favored Glycine 0 C--O 1.216 -1.024 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 65' ' ' ARG . 46.7 tp -58.59 -44.47 89.84 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.244 -1.151 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.32 -32.77 74.37 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.972 3.309 . . . . 0.0 113.706 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.49 -42.29 68.24 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.524 1.13 . . . . 0.0 110.963 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -37.05 82.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.254 1.422 . . . . 0.0 111.734 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.32 -42.13 98.98 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 125.469 1.508 . . . . 0.0 111.163 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.73 71.76 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.414 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -33.99 76.26 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.26 1.846 . . . . 0.0 111.376 -174.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -56.44 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.698 1.599 . . . . 0.0 109.624 169.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.8 mmpt? -62.13 -34.93 77.28 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.823 -1.173 . . . . 0.0 113.442 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -66.94 -40.35 87.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.965 3.306 . . . . 0.0 112.623 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -70.11 -43.44 71.0 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 114.563 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 t -50.52 -36.81 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 127.058 2.143 . . . . 0.0 114.47 -164.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -30.03 34.36 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.959 1.703 . . . . 0.0 115.239 177.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.12 -12.25 59.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 130.049 3.34 . . . . 0.0 111.701 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.276 7.1 t -144.17 -123.04 0.08 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.555 1.142 . . . . 0.0 111.922 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.93 50.59 0.25 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.667 1.587 . . . . 0.0 112.295 -161.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.38 112.65 0.47 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 123.28 1.514 . . . . 0.0 110.014 164.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.47 170.32 11.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 112.54 -2.118 . . . . 0.0 109.247 173.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.56 -43.3 75.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.452 0.644 . . . . 0.0 110.983 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.6 m -59.49 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.569 1.548 . . . . 0.0 113.555 -170.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.2 -45.59 92.69 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.56 -46.66 84.92 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.607 -168.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -46.66 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.76 69.91 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 123.113 1.435 . . . . 0.0 111.759 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -45.86 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 CA-C-N 112.999 -1.91 . . . . 0.0 113.115 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -62.92 -42.98 99.98 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 119.596 1.089 . . . . 0.0 110.871 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.23 -28.99 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.525 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.28 64.87 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 129.626 3.17 . . . . 0.0 116.906 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.77 -51.62 25.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 128.669 2.788 . . . . 0.0 110.605 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.7 68.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 159.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.78 -54.9 25.93 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 127.337 2.399 . . . . 0.0 109.749 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.668 2.387 . . . . 0.0 113.205 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.04 -47.47 77.8 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 120.068 1.304 . . . . 0.0 110.279 -170.448 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.38 78.13 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.37 -47.8 69.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.87 1.795 . . . . 0.0 110.422 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.309 16.3 mt -67.71 -32.69 73.5 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 112.17 -2.286 . . . . 0.0 115.5 -176.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -75.25 -31.42 60.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 130.402 3.481 . . . . 0.0 111.689 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.89 -29.27 68.33 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.336 158.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 t -93.9 24.62 4.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -53.06 -17.06 1.3 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.699 2.399 . . . . 0.0 115.687 -168.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -34.97 130.13 0.43 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 129.289 3.036 . . . . 0.0 114.856 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -116.19 156.46 26.48 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.803 1.241 . . . . 0.0 113.933 -165.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.8 t -46.52 131.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.251 1.421 . . . . 0.0 113.236 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.46 -30.27 0.11 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 130.511 3.524 . . . . 0.0 116.557 175.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.67 -34.31 62.67 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.571 1.548 . . . . 0.0 110.789 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 p -152.26 11.01 0.53 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 171.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--O 1.25 1.084 0 C-N-CA 124.487 1.115 . . . . 0.0 112.863 -176.439 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -137.79 10.42 2.88 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.289 1.436 . . . . 0.0 114.339 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 -62.36 160.42 13.38 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.161 1.385 . . . . 0.0 113.836 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mmt -139.13 159.58 41.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.175 1.79 . . . . 0.0 112.107 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 7' ' ' GLU . 20.9 mt -78.64 -16.5 57.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.3 tp 59.51 -18.2 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.511 2.724 . . . . 0.0 115.893 -169.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 5' ' ' LEU . 45.5 mt-10 -131.86 65.82 1.56 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.832 2.853 . . . . 0.0 109.147 174.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -56.16 -29.31 60.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -162.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.42 -31.12 72.19 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.41 1.484 . . . . 0.0 114.973 -175.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -159.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -32.81 69.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.333 174.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -22.3 50.96 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -95.45 -18.77 20.42 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.504 1.922 . . . . 0.0 112.393 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.32 -33.73 59.02 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.91 1.284 . . . . 0.0 113.273 155.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.72 80.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.246 1.818 . . . . 0.0 113.151 -169.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.85 -24.09 61.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.203 2.601 . . . . 0.0 114.41 -163.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mp -128.88 -4.79 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 127.276 2.231 . . . . 0.0 111.857 -165.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.98 -25.21 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.501 1.92 . . . . 0.0 113.612 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.74 -55.91 1.39 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.207 1.403 . . . . 0.0 111.636 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.24 -48.65 78.29 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 118.798 0.726 . . . . 0.0 112.199 -168.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.6 mmm -58.41 -36.89 74.26 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.212 -1.555 . . . . 0.0 112.488 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.94 55.16 Favored Glycine 0 C--O 1.226 -0.399 0 N-CA-C 112.224 -0.35 . . . . 0.0 112.224 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -43.18 99.19 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 124.441 1.097 . . . . 0.0 111.368 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.66 -54.39 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.93 62.13 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -110.5 12.53 22.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.675 1.99 . . . . 0.0 113.577 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.36 -31.72 64.06 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.574 -1.329 . . . . 0.0 114.098 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 73.3 -4.04 2.3 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 127.903 2.481 . . . . 0.0 114.742 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -148.04 137.71 22.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 125.062 1.345 . . . . 0.0 108.086 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -34.42 70.34 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-O 123.612 1.672 . . . . 0.0 110.378 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.48 -35.55 74.33 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 112.9 -1.954 . . . . 0.0 110.82 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.78 48.02 Favored Glycine 0 C--O 1.216 -1.001 0 N-CA-C 115.906 1.123 . . . . 0.0 115.906 165.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 tp -58.86 -41.27 86.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 119.214 1.507 . . . . 0.0 112.088 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.76 -33.08 75.04 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 130.581 3.553 . . . . 0.0 114.797 170.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.48 -43.01 61.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.889 1.275 . . . . 0.0 110.637 171.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.29 83.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.972 1.709 . . . . 0.0 111.258 167.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -63.29 -44.37 95.22 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 123.776 0.83 . . . . 0.0 110.915 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.9 79.93 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.855 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.02 73.31 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 120.4 -1.438 . . . . 0.0 112.633 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.4 -56.47 21.67 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.121 1.769 . . . . 0.0 108.332 166.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -60.44 -36.9 79.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -67.22 -49.28 65.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.359 2.664 . . . . 0.0 111.826 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -70.42 -42.7 71.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -67.48 -29.76 46.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 121.535 1.971 . . . . 0.0 112.169 -172.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -59.45 -39.63 84.21 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.239 1.415 . . . . 0.0 112.644 165.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.93 -6.53 45.87 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.012 2.125 . . . . 0.0 113.884 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 t -140.19 -95.64 0.15 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.994 1.318 . . . . 0.0 110.899 171.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -155.07 -26.19 0.11 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 165.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.477 0.0 OUTLIER 36.36 126.06 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 117.436 2.384 . . . . 0.0 117.436 -143.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.46 161.19 3.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.406 153.11 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -61.06 -35.06 75.93 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -59.5 -42.35 91.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.425 1.49 . . . . 0.0 113.216 -171.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.86 -51.04 71.01 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.41 -46.14 91.06 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 127.201 2.2 . . . . 0.0 113.675 -165.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -46.19 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.221 1.009 . . . . 0.0 111.312 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -49.91 69.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.945 -171.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -67.66 -45.98 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 CA-C-N 112.571 -2.104 . . . . 0.0 110.394 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -37.31 87.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 122.96 2.618 . . . . 0.0 113.332 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.67 -32.61 72.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.73 39.71 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 130.067 3.347 . . . . 0.0 116.637 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.69 -51.65 26.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 129.547 3.139 . . . . 0.0 111.056 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.57 70.51 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 159.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.32 -58.84 8.34 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 127.709 2.576 . . . . 0.0 110.436 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.282 27.2 tptt -69.93 -34.7 73.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 128.229 2.612 . . . . 0.0 114.343 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.89 78.66 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.949 -1.719 . . . . 0.0 110.337 -169.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.42 78.35 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.19 -47.59 70.45 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.965 1.364 . . . . 0.0 110.784 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.29 16.4 mt -67.54 -32.4 73.16 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 112.121 -2.309 . . . . 0.0 114.902 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.16 -31.86 61.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 129.903 3.281 . . . . 0.0 111.903 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -75.21 -10.4 59.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.822 1.649 . . . . 0.0 111.536 160.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -116.3 33.6 5.46 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.74 1.216 . . . . 0.0 113.56 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -47.59 -29.87 3.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.493 2.317 . . . . 0.0 115.552 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.4 t70 44.37 31.13 0.55 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 127.541 2.337 . . . . 0.0 116.513 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.94 129.74 42.96 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.769 1.227 . . . . 0.0 113.344 -169.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t 57.0 -56.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 128.83 2.852 . . . . 0.0 115.886 -167.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.0 -27.39 0.34 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 128.132 2.573 . . . . 0.0 114.593 -167.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.37 -49.25 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.431 2.292 . . . . 0.0 111.508 -170.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -174.5 143.86 0.85 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 129.495 3.118 . . . . 0.0 108.336 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.337 -0.84 . . . . 0.0 112.271 -176.513 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -72.88 -16.38 61.58 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -149.69 149.68 30.97 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.233 1.413 . . . . 0.0 112.434 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -153.62 153.36 32.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.367 1.867 . . . . 0.0 111.805 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -76.86 -32.19 57.34 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -159.48 -40.63 0.05 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.883 1.673 . . . . 0.0 112.042 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -143.96 145.15 32.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.153 1.781 . . . . 0.0 111.37 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -54.25 -35.6 62.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.582 1.553 . . . . 0.0 114.84 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.46 -31.19 71.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -168.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -74.29 -10.33 59.49 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 119.787 -1.82 . . . . 0.0 115.817 -165.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -58.35 -33.8 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.764 -0.774 . . . . 0.0 111.196 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.554 0.0 OUTLIER -81.81 -22.13 37.27 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -93.2 -25.12 17.96 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 128.051 2.54 . . . . 0.0 113.679 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.77 -35.04 57.97 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.543 1.537 . . . . 0.0 112.612 162.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.56 -36.73 3.15 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.59 2.356 . . . . 0.0 114.552 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' HG ' ' N ' ' A' ' 53' ' ' ASP . 1.8 m -58.92 -35.65 73.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.544 2.338 . . . . 0.0 112.842 -171.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.3 4.67 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.374 0 C-N-CA 126.923 2.089 . . . . 0.0 111.079 -157.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.15 -27.53 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -173.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -137.31 -36.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.255 1.422 . . . . 0.0 114.236 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -47.66 84.99 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 126.965 2.106 . . . . 0.0 113.022 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.6 mmm -60.45 -27.6 67.66 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 119.768 -1.833 . . . . 0.0 112.772 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.19 89.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.163 -0.961 . . . . 0.0 112.192 165.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.432 0.0 OUTLIER -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 129.145 2.978 . . . . 0.0 109.151 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 43.4 mm -61.0 -54.38 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 126.105 1.762 . . . . 0.0 108.773 172.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -23.24 61.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.789 -166.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -108.42 12.45 26.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.409 2.283 . . . . 0.0 113.622 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.444 ' SG ' HD13 ' A' ' 68' ' ' LEU . 30.9 p -65.41 -20.26 66.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 120.714 -1.241 . . . . 0.0 112.843 -169.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 56.14 -10.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 132.582 4.353 . . . . 0.0 117.665 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 p -153.98 142.04 20.31 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.471 1.908 . . . . 0.0 107.495 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.36 -35.88 71.3 Favored 'General case' 0 C--O 1.211 -0.962 0 C-N-CA 117.79 -1.564 . . . . 0.0 110.056 177.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.7 -35.58 80.18 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 126.264 1.826 . . . . 0.0 111.581 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.4 46.26 Favored Glycine 0 C--O 1.212 -1.222 0 N-CA-C 116.141 1.216 . . . . 0.0 116.141 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 tp -58.71 -39.65 81.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 120.398 2.099 . . . . 0.0 114.169 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.23 -33.44 74.58 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 129.914 3.286 . . . . 0.0 114.707 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.36 -38.65 63.15 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.693 1.197 . . . . 0.0 111.233 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.68 -37.11 82.9 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.097 1.359 . . . . 0.0 109.812 167.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.93 -44.6 80.23 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 125.281 1.433 . . . . 0.0 111.664 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.62 75.5 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.472 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -33.34 75.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.444 1.475 . . . . 0.0 111.179 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.67 -56.11 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.619 1.968 . . . . 0.0 108.151 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.3 mmpt? -63.2 -37.9 89.06 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -67.05 -46.65 73.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.347 3.059 . . . . 0.0 112.322 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -70.27 -45.1 67.08 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.38 -32.6 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -159.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.44 -32.98 74.7 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 171.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.93 -10.49 59.71 Favored 'General case' 0 N--CA 1.475 0.776 1 C-N-CA 132.032 4.133 . . . . 0.0 112.395 -177.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.0 t -141.23 -152.9 0.43 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.15 1.38 . . . . 0.0 112.459 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -132.25 28.64 4.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.946 2.098 . . . . 0.0 114.433 -156.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.28 129.35 18.23 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 123.44 1.591 . . . . 0.0 109.938 161.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -116.17 -178.48 3.42 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 129.695 3.198 . . . . 0.0 108.62 179.125 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.81 -43.15 76.64 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.512 -1.367 . . . . 0.0 110.449 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.1 m -59.7 -45.42 92.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -171.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.1 -48.0 75.23 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.456 1.48 . . . . 0.0 109.035 170.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.85 -46.59 84.3 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.503 1.127 . . . . 0.0 111.458 -157.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -46.49 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.624 -178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -49.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.804 1.287 . . . . 0.0 110.699 -170.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -45.98 82.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -36.43 79.36 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 120.333 1.424 . . . . 0.0 111.257 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.19 -29.2 69.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.759 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.67 69.34 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 131.157 3.783 . . . . 0.0 115.478 166.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.95 -51.59 57.22 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 124.903 1.281 . . . . 0.0 110.822 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.56 71.49 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.457 -1.701 . . . . 0.0 113.375 166.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.83 -57.33 16.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 128.629 3.014 . . . . 0.0 109.604 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -69.94 -34.6 73.66 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 127.277 2.231 . . . . 0.0 113.537 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -55.99 -49.31 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 120.446 -1.409 . . . . 0.0 110.31 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.32 72.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -67.32 -47.68 69.83 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.355 1.55 . . . . 0.0 110.24 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 HD13 ' SG ' ' A' ' 27' ' ' CYS . 15.5 mt -67.4 -32.74 73.84 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.182 -2.281 . . . . 0.0 115.815 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.3 -31.67 60.74 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 130.304 3.441 . . . . 0.0 112.053 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.75 -26.99 65.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.149 158.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -95.45 23.87 5.62 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.05 -16.74 7.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.783 2.033 . . . . 0.0 114.884 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -46.94 134.75 9.99 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.762 2.425 . . . . 0.0 114.497 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -133.18 128.87 36.93 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.496 1.518 . . . . 0.0 113.621 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t 54.67 -58.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.297 3.039 . . . . 0.0 116.045 -167.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.53 -28.5 0.4 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 128.134 2.574 . . . . 0.0 113.896 -167.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -161.48 -55.33 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.68 1.192 . . . . 0.0 113.072 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -166.71 18.35 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -160.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.228 1.411 . . . . 0.0 114.293 -170.686 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m -137.16 17.99 2.98 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.037 1.335 . . . . 0.0 113.401 -172.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -147.47 175.36 10.89 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.542 1.937 . . . . 0.0 112.016 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -133.76 154.85 50.68 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.067 1.347 . . . . 0.0 113.085 -173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.18 -25.65 66.25 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp 60.43 -33.39 0.07 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.126 2.971 . . . . 0.0 115.744 -169.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.42 112.77 9.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.998 2.519 . . . . 0.0 109.36 166.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -72.47 -8.5 55.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -170.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -57.5 -31.04 65.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.196 2.199 . . . . 0.0 114.88 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.41 -13.16 61.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.887 2.075 . . . . 0.0 113.734 -164.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -32.95 69.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.136 0.493 . . . . 0.0 110.718 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -22.15 44.51 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -92.35 -23.38 19.26 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.892 1.677 . . . . 0.0 110.386 -171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -76.89 -38.13 54.15 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 125.965 1.706 . . . . 0.0 113.316 158.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.55 55.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.806 2.042 . . . . 0.0 114.152 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -27.68 65.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 127.783 2.433 . . . . 0.0 113.237 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.65 14.83 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 128.361 2.664 . . . . 0.0 110.998 -163.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -99.05 -7.94 26.04 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 127.212 2.205 . . . . 0.0 114.632 -171.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -130.99 -61.79 0.92 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.599 1.16 . . . . 0.0 112.109 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -57.54 -47.9 80.76 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 124.879 1.272 . . . . 0.0 112.936 -174.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.7 mmm -58.44 -35.78 72.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.259 1.424 . . . . 0.0 112.185 -171.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.01 56.08 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 123.979 0.799 . . . . 0.0 111.804 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.0 OUTLIER -62.71 -43.34 99.06 Favored 'General case' 0 N--CA 1.433 -1.322 0 C-N-CA 125.852 1.661 . . . . 0.0 109.317 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.6 pt -70.17 -44.33 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.08 65.41 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.617 0.644 . . . . 0.0 111.754 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -105.71 12.34 31.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.889 2.076 . . . . 0.0 113.657 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' A' ' 68' ' ' LEU . 25.6 p -68.94 -23.74 64.19 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 119.298 -2.127 . . . . 0.0 113.467 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 58.71 -4.99 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.705 3.602 . . . . 0.0 116.566 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.9 p -153.63 139.19 17.79 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.874 1.67 . . . . 0.0 107.172 -169.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -35.83 74.62 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.588 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.07 -35.05 77.46 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 126.335 1.854 . . . . 0.0 111.34 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.94 -43.63 40.28 Favored Glycine 0 C--O 1.211 -1.288 0 CA-C-O 118.436 -1.202 . . . . 0.0 115.756 163.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.56 -37.74 76.37 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.494 2.147 . . . . 0.0 113.224 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -32.8 74.59 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 129.837 3.255 . . . . 0.0 114.265 169.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.24 -39.03 63.33 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.434 1.093 . . . . 0.0 110.933 168.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.77 -39.21 90.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.994 1.717 . . . . 0.0 109.575 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -63.77 -45.71 88.54 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 125.17 1.388 . . . . 0.0 110.731 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -48.83 71.8 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.498 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -33.7 75.73 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.687 -1.258 . . . . 0.0 112.001 -175.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -56.51 21.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.736 2.014 . . . . 0.0 109.13 170.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -61.58 -36.47 80.76 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.89 -1.131 . . . . 0.0 113.304 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -66.97 -42.05 85.8 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.929 2.891 . . . . 0.0 113.278 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -70.28 -42.9 71.47 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.3 -34.77 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -161.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -31.07 69.22 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.974 1.71 . . . . 0.0 115.418 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.37 -10.35 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 130.926 3.691 . . . . 0.0 112.034 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 t -146.9 -143.75 0.14 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.09 1.356 . . . . 0.0 113.016 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -138.21 29.88 2.46 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.878 1.671 . . . . 0.0 114.524 -149.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 129.89 21.82 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 123.448 1.594 . . . . 0.0 109.797 165.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -115.01 -175.7 2.74 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 130.535 3.534 . . . . 0.0 108.192 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -55.94 -44.55 78.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 119.687 -1.883 . . . . 0.0 111.57 174.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.95 -45.21 93.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -168.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.563 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.28 -48.67 72.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.747 1.612 . . . . 0.0 109.044 171.053 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.3 -46.44 88.75 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 124.292 0.995 . . . . 0.0 111.428 -161.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -46.53 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.69 69.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.603 1.192 . . . . 0.0 111.393 -171.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -45.7 83.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.128 175.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.14 -43.62 98.42 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 119.653 1.115 . . . . 0.0 110.784 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.66 -28.73 68.69 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.809 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -45.78 61.99 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 129.737 3.215 . . . . 0.0 115.821 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.57 -51.79 26.04 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.132 2.573 . . . . 0.0 110.539 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.59 69.87 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 159.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.01 -56.66 17.74 Favored Glycine 0 C--O 1.223 -0.548 0 C-N-CA 128.51 2.957 . . . . 0.0 109.753 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -69.76 -34.61 74.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 128.298 2.639 . . . . 0.0 112.439 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -55.82 -48.8 74.8 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.209 -0.932 . . . . 0.0 109.564 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.17 75.2 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.25 -47.63 70.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 123.566 1.651 . . . . 0.0 109.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD12 ' SG ' ' A' ' 27' ' ' CYS . 17.2 mt -67.6 -32.47 73.22 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.165 -2.289 . . . . 0.0 115.147 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -75.29 -32.47 61.0 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 130.29 3.436 . . . . 0.0 112.082 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.72 -15.19 62.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.845 1.258 . . . . 0.0 110.843 158.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -108.22 24.33 13.16 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.68 -20.96 52.9 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.68 1.592 . . . . 0.0 114.713 -170.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -133.52 145.92 50.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.873 1.669 . . . . 0.0 111.128 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -131.56 170.24 15.01 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -141.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.3 t -45.77 135.92 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.924 1.69 . . . . 0.0 112.271 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 61.14 -30.1 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 130.959 3.703 . . . . 0.0 117.185 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.14 -28.58 62.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.978 1.711 . . . . 0.0 110.831 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.6 p -144.69 -0.76 0.92 Allowed 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 165.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.249 1.045 0 C-N-CA 124.148 0.979 . . . . 0.0 112.641 -171.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -138.07 13.44 2.86 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.792 1.237 . . . . 0.0 113.869 -171.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -143.72 164.09 31.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.655 1.582 . . . . 0.0 112.842 -171.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.82 159.24 14.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.206 1.402 . . . . 0.0 112.788 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.47 -41.93 75.52 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.076 0.95 . . . . 0.0 113.469 -173.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.7 mt 54.19 -10.32 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 129.336 3.055 . . . . 0.0 118.629 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.83 10.3 3.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.612 1.965 . . . . 0.0 114.251 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -138.02 142.39 40.38 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.35 1.86 . . . . 0.0 111.185 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -58.69 -31.33 68.11 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -66.64 -29.88 70.02 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -150.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -32.81 69.11 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.212 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -24.17 37.09 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.929 1.691 . . . . 0.0 115.032 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -92.35 -22.29 19.78 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.968 0.907 . . . . 0.0 111.047 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.6 -39.72 64.4 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.94 159.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.85 -39.45 39.11 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.356 1.863 . . . . 0.0 113.94 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -58.96 -25.26 63.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.019 2.127 . . . . 0.0 114.629 -172.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.18 -0.33 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 127.303 2.241 . . . . 0.0 110.924 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.1 -14.93 49.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.703 1.601 . . . . 0.0 113.974 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.15 -72.33 0.69 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.422 1.489 . . . . 0.0 110.952 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.72 -48.66 80.38 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 124.475 1.11 . . . . 0.0 113.633 -167.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 32.6 mmm -58.46 -36.79 74.23 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.587 1.085 . . . . 0.0 113.023 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.09 -38.98 54.63 Favored Glycine 0 C--O 1.223 -0.554 0 CA-C-O 119.436 -0.646 . . . . 0.0 111.956 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -61.99 -43.26 99.22 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 125.144 1.377 . . . . 0.0 109.688 -178.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 pt -70.81 -45.71 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.08 -21.8 65.25 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 118.758 0.708 . . . . 0.0 111.4 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.5 t -104.81 12.39 32.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.014 2.126 . . . . 0.0 113.453 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.466 ' SG ' HD13 ' A' ' 68' ' ' LEU . 24.0 p -68.78 -25.27 64.62 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.352 -2.093 . . . . 0.0 113.157 -168.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 57.5 -3.22 0.05 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 131.363 3.865 . . . . 0.0 116.8 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.1 p -153.7 139.73 18.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.956 1.702 . . . . 0.0 107.429 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -36.39 74.69 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.55 1.643 . . . . 0.0 110.018 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 113.011 -1.904 . . . . 0.0 111.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -42.7 43.82 Favored Glycine 0 C--O 1.215 -1.078 0 CA-C-O 118.496 -1.169 . . . . 0.0 115.847 162.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -58.7 -41.0 85.29 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 120.251 2.025 . . . . 0.0 113.962 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.39 -33.79 72.98 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 130.17 3.388 . . . . 0.0 114.624 167.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.19 -39.1 63.4 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.535 1.134 . . . . 0.0 110.962 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.58 -37.21 83.02 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.87 1.268 . . . . 0.0 110.066 167.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -65.88 -44.91 83.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.556 1.542 . . . . 0.0 111.359 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.98 76.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.704 171.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -32.06 73.18 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.623 -1.298 . . . . 0.0 111.635 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -59.56 -56.4 22.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.298 1.839 . . . . 0.0 108.493 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 2.5 mmpt? -60.95 -36.97 80.77 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.591 -1.318 . . . . 0.0 113.292 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 55.8 mmtt -67.04 -46.83 73.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.821 2.848 . . . . 0.0 113.361 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -70.32 -39.12 74.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 170.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.86 -36.29 72.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 119.509 -1.994 . . . . 0.0 114.215 -166.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 33.2 pttt -65.49 -34.45 78.31 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.584 1.554 . . . . 0.0 114.246 172.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -79.85 -20.14 46.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 129.575 3.15 . . . . 0.0 110.667 -169.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -152.52 -136.41 0.06 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -136.55 40.83 2.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.26 1.824 . . . . 0.0 114.203 -149.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 125.21 10.97 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 123.575 1.655 . . . . 0.0 108.365 150.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.53 -177.14 3.28 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 128.488 2.715 . . . . 0.0 108.38 177.179 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.81 -40.98 76.96 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 119.988 -1.695 . . . . 0.0 111.617 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 m -59.44 -45.66 90.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -169.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.536 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.19 -50.51 67.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.038 1.29 . . . . 0.0 108.635 174.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.27 -45.13 94.38 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.931 1.292 . . . . 0.0 113.028 -160.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -46.32 80.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 124.545 1.138 . . . . 0.0 111.982 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -49.77 70.52 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.08 0.943 . . . . 0.0 108.628 -173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.63 -46.01 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-N 112.74 -2.027 . . . . 0.0 111.958 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -69.26 -37.41 77.91 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 122.685 2.493 . . . . 0.0 111.481 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.99 -30.88 70.25 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.939 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.32 -50.26 34.22 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 129.742 3.217 . . . . 0.0 116.468 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.75 -51.62 26.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.6 3.56 . . . . 0.0 110.405 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.64 71.73 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 161.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.62 -59.09 6.23 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 128.084 2.754 . . . . 0.0 110.549 170.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.78 -34.7 74.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 128.921 2.889 . . . . 0.0 112.539 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -55.88 -49.62 72.88 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 124.521 1.129 . . . . 0.0 109.619 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.28 75.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.29 -47.74 69.72 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.277 1.513 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 27' ' ' CYS . 18.0 mt -67.56 -32.18 72.76 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 112.514 -2.13 . . . . 0.0 115.695 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.17 -31.58 61.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.747 3.619 . . . . 0.0 112.155 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.75 -27.47 66.81 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.92 157.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -93.28 21.91 5.62 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -55.12 -16.86 3.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 127.518 2.327 . . . . 0.0 115.28 -171.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -46.76 144.25 2.43 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.581 2.752 . . . . 0.0 114.754 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -122.86 56.31 1.15 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.34 1.056 . . . . 0.0 113.372 -159.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t 65.84 -48.4 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 129.546 3.138 . . . . 0.0 117.325 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.2 -26.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 127.226 2.21 . . . . 0.0 114.039 -164.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.78 -24.83 59.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.271 1.028 . . . . 0.0 111.793 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -147.27 8.49 0.92 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 168.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.93 1.292 . . . . 0.0 112.039 -179.33 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -134.38 12.8 3.83 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -171.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -67.59 -22.21 65.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.894 1.277 . . . . 0.0 114.248 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.7 mmt -133.54 169.49 16.91 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.384 1.874 . . . . 0.0 112.428 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.21 -37.94 84.46 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -169.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 56.06 -15.64 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.601 2.76 . . . . 0.0 118.228 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -133.84 4.51 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.554 1.942 . . . . 0.0 114.25 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -146.45 148.8 32.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.471 1.508 . . . . 0.0 110.798 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -57.5 -31.16 65.75 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 -155.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -64.56 -28.91 69.96 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.125 -1.61 . . . . 0.0 115.293 -151.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -32.84 69.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.106 174.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -22.36 37.93 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.55 -24.05 17.41 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 124.934 1.294 . . . . 0.0 111.591 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -76.57 -28.81 56.37 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.404 1.482 . . . . 0.0 113.49 158.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -42.83 68.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 113.35 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -59.35 -22.12 60.83 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.123 2.169 . . . . 0.0 114.267 -161.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mp -126.06 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.637 2.375 . . . . 0.0 111.634 -168.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.35 -25.05 57.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.991 1.716 . . . . 0.0 113.611 -167.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.7 -54.72 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.624 1.569 . . . . 0.0 112.291 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -57.07 -46.01 82.82 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.282 0.946 . . . . 0.0 113.039 -167.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 mmm -58.31 -39.39 79.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.259 1.424 . . . . 0.0 113.1 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.08 55.86 Favored Glycine 0 C--O 1.221 -0.669 0 O-C-N 121.917 -0.49 . . . . 0.0 112.239 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 23' ' ' LYS 0.301 0.1 OUTLIER -58.98 -43.22 91.36 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 118.322 1.061 . . . . 0.0 111.525 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -71.53 -54.48 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 170.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.33 -22.03 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.546 -0.722 . . . . 0.0 111.926 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -111.31 12.53 21.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.92 2.088 . . . . 0.0 114.274 172.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.52 -31.69 66.31 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 120.258 -1.526 . . . . 0.0 113.579 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 69.72 -3.82 1.58 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.278 2.631 . . . . 0.0 114.85 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p -146.19 137.65 24.71 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 125.114 1.366 . . . . 0.0 108.512 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -33.44 69.42 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 123.28 1.514 . . . . 0.0 110.044 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.35 -34.54 75.46 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.833 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.85 47.63 Favored Glycine 0 C--O 1.216 -1.028 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 164.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.66 -42.78 89.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 119.138 1.469 . . . . 0.0 112.298 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.49 -32.92 74.52 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 130.227 3.411 . . . . 0.0 114.149 170.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.27 -42.39 59.69 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.735 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.21 82.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.216 1.806 . . . . 0.0 110.345 167.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.09 -46.16 88.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 119.361 0.982 . . . . 0.0 110.668 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -46.34 83.73 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.508 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.12 77.6 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.972 1.26 . . . . 0.0 112.387 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -59.59 -56.39 22.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 109.259 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -60.29 -34.68 74.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -49.43 67.13 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 128.191 2.596 . . . . 0.0 111.414 175.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -70.07 -46.04 65.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -58.63 -36.24 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 120.77 1.623 . . . . 0.0 113.11 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -59.53 -40.32 86.77 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.955 0.902 . . . . 0.0 113.139 169.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -11.64 60.66 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.507 1.923 . . . . 0.0 112.615 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 t -153.2 -135.22 0.05 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.532 0.733 . . . . 0.0 111.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -144.37 63.01 1.33 Allowed 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.313 1.53 . . . . 0.0 112.588 -162.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' CB ' ' HB ' ' A' ' 44' ' ' VAL . 1.7 tt -55.09 99.57 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.214 -1.812 . . . . 0.0 112.112 167.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.14 166.24 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 113.452 -1.704 . . . . 0.0 112.911 160.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.05 -38.69 89.68 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -59.46 -42.49 92.14 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.478 1.511 . . . . 0.0 113.188 -168.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.58 -50.76 71.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.31 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.18 -46.23 90.41 Favored 'General case' 0 C--O 1.211 -0.937 0 C-N-CA 128.336 2.655 . . . . 0.0 112.227 -165.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -46.4 79.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -49.85 69.52 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 118.545 -1.262 . . . . 0.0 107.662 -172.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 m -67.86 -46.36 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.113 0 CA-C-N 112.272 -2.24 . . . . 0.0 113.273 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -69.12 -34.25 74.75 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 123.176 2.716 . . . . 0.0 112.864 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.27 -30.57 63.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.332 1.063 . . . . 0.0 111.454 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -46.83 60.21 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 129.676 3.19 . . . . 0.0 116.381 168.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.85 -51.72 24.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 129.5 3.12 . . . . 0.0 110.743 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.54 69.85 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 158.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.7 -56.46 20.21 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.705 2.098 . . . . 0.0 109.906 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -69.65 -34.7 74.38 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 129.332 3.053 . . . . 0.0 113.872 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -47.43 77.7 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 119.761 -1.837 . . . . 0.0 110.397 -171.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.38 77.13 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.12 -47.78 70.09 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.976 1.37 . . . . 0.0 111.376 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.278 15.4 mt -67.46 -32.58 73.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.033 -2.349 . . . . 0.0 114.782 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.2 -31.98 61.07 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.544 3.538 . . . . 0.0 111.807 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.07 -13.63 61.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.635 1.174 . . . . 0.0 111.088 158.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -106.19 21.12 17.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.263 1.025 . . . . 0.0 113.361 170.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.85 -24.89 54.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.981 1.712 . . . . 0.0 113.578 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.95 104.11 0.08 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.553 2.741 . . . . 0.0 112.929 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.4 116.08 11.31 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.767 1.227 . . . . 0.0 111.592 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.5 t 57.11 -54.86 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 128.92 2.888 . . . . 0.0 114.856 -160.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.87 -30.36 0.44 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 128.932 2.893 . . . . 0.0 113.785 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -163.97 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.011 1.724 . . . . 0.0 112.867 -174.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 p -167.0 14.39 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -162.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.133 1.373 . . . . 0.0 112.46 -167.078 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -138.98 22.59 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.645 1.578 . . . . 0.0 112.741 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -140.44 12.11 2.34 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -160.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.05 143.35 52.21 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.168 0.987 . . . . 0.0 113.556 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.1 mt -79.15 -13.77 59.52 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.49 -46.73 87.97 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.595 1.558 . . . . 0.0 114.877 -167.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.25 23.15 0.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -131.98 168.99 16.95 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.117 1.767 . . . . 0.0 112.565 -175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -57.56 -31.12 65.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.332 2.253 . . . . 0.0 115.076 -170.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -56.73 -23.75 44.77 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.965 2.506 . . . . 0.0 117.648 -168.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -32.91 68.74 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.931 172.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -22.66 53.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.2 -22.27 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.734 1.614 . . . . 0.0 112.923 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -76.82 -32.07 57.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.085 1.354 . . . . 0.0 112.802 161.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.36 72.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.047 2.139 . . . . 0.0 114.401 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -30.46 68.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.495 2.318 . . . . 0.0 113.581 -161.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.62 7.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 127.643 2.377 . . . . 0.0 110.413 -154.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.43 -25.78 59.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.761 1.624 . . . . 0.0 114.062 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.5 -44.35 1.0 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.088 1.355 . . . . 0.0 113.707 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -48.87 78.89 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.186 1.395 . . . . 0.0 113.079 -174.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 mmm -58.51 -30.36 66.99 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.095 -1.628 . . . . 0.0 112.146 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.88 -38.95 55.92 Favored Glycine 0 C--O 1.222 -0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 112.023 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.04 -43.17 83.45 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 126.323 1.849 . . . . 0.0 107.984 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -71.23 -42.54 74.96 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 167.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -22.52 66.13 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.91 1.232 . . . . 0.0 111.964 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.1 t -102.79 12.46 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.37 2.268 . . . . 0.0 112.974 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.44 ' SG ' HD13 ' A' ' 68' ' ' LEU . 24.8 p -69.11 -23.55 64.01 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.579 -1.951 . . . . 0.0 113.451 -167.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 59.86 -5.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 131.285 3.834 . . . . 0.0 116.586 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 p -154.02 139.19 17.44 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.779 1.631 . . . . 0.0 107.653 -169.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -36.18 75.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 117.481 -1.688 . . . . 0.0 109.214 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.64 -35.7 78.68 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.403 -176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 35' ' ' GLU . . . -73.08 -40.33 51.23 Favored Glycine 0 C--O 1.214 -1.11 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 163.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.15 -43.56 92.08 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 120.37 2.085 . . . . 0.0 114.303 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.81 -32.96 71.13 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 129.887 3.275 . . . . 0.0 113.956 168.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -74.18 -41.72 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.815 2.446 . . . . 0.0 109.812 171.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.55 -36.95 82.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.019 2.128 . . . . 0.0 109.536 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -69.54 -44.39 71.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 112.26 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.96 97.21 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.073 171.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -33.9 76.63 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.312 0.645 . . . . 0.0 112.712 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.47 -55.34 35.87 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.485 1.514 . . . . 0.0 108.473 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.1 mmpt? -60.4 -34.96 74.68 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.84 -41.63 87.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.836 2.854 . . . . 0.0 112.623 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -70.17 -46.83 63.83 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 126.18 1.792 . . . . 0.0 114.652 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.15 -24.64 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 127.028 2.131 . . . . 0.0 116.43 -161.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.73 -31.11 32.19 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 170.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.63 -10.89 58.75 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 130.947 3.699 . . . . 0.0 112.023 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.9 t -147.85 -146.23 0.19 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.048 1.339 . . . . 0.0 112.031 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -138.34 46.6 2.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.661 1.984 . . . . 0.0 111.052 -150.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.47 90.26 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 123.868 1.794 . . . . 0.0 110.154 167.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 170.62 1.72 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.399 1.88 . . . . 0.0 110.527 161.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -59.38 -40.3 86.1 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.149 -0.969 . . . . 0.0 112.555 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.1 m -59.7 -48.34 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.157 1.383 . . . . 0.0 113.621 -171.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.16 -45.2 94.48 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.97 -46.51 87.39 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.19 -166.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.43 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.533 0.682 . . . . 0.0 112.468 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.71 69.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.13 -171.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.93 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.266 1.426 . . . . 0.0 113.816 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -69.09 -36.88 78.05 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 119.587 1.085 . . . . 0.0 111.193 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.36 -31.35 71.53 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.515 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.81 67.69 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 129.754 3.222 . . . . 0.0 115.966 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.89 -51.36 40.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 127.217 2.207 . . . . 0.0 109.248 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.84 70.23 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 162.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.62 26.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 128.45 2.928 . . . . 0.0 109.832 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -69.83 -34.54 73.79 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 127.446 2.298 . . . . 0.0 112.895 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -55.86 -48.93 74.67 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 124.41 1.084 . . . . 0.0 109.694 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.14 74.25 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.22 -47.74 69.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 123.098 1.427 . . . . 0.0 110.386 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 HD13 ' SG ' ' A' ' 27' ' ' CYS . 17.3 mt -67.69 -31.94 72.24 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.337 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.17 -31.56 61.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 130.346 3.458 . . . . 0.0 112.239 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -20.55 64.4 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.201 156.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -101.97 21.61 14.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.41 -14.41 12.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.826 2.051 . . . . 0.0 115.145 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -42.71 135.38 2.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.497 1.919 . . . . 0.0 114.483 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -118.56 152.41 36.05 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.36 1.464 . . . . 0.0 113.774 -165.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -49.91 135.61 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.865 1.266 . . . . 0.0 112.78 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 58.06 -22.68 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 131.295 3.838 . . . . 0.0 119.103 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.88 -31.62 72.34 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.164 0.986 . . . . 0.0 111.059 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 p -160.25 5.39 0.08 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.888 1.275 . . . . 0.0 113.339 -179.001 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.097 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -152.66 -41.85 0.1 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -143.52 32.78 1.3 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.531 1.132 . . . . 0.0 113.081 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -146.19 152.78 39.79 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.323 1.449 . . . . 0.0 112.574 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -74.96 -45.41 42.49 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.334 0.654 . . . . 0.0 111.589 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.4 tp -151.03 -30.07 0.18 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.521 1.928 . . . . 0.0 113.254 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -146.99 147.48 30.75 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.599 1.96 . . . . 0.0 111.71 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -58.58 -30.93 67.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.11 -31.17 71.6 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.878 2.071 . . . . 0.0 114.933 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.07 -10.7 60.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.592 1.957 . . . . 0.0 113.752 -168.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -32.9 69.1 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.005 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.44 -37.65 63.22 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.812 0.815 . . . . 0.0 112.743 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -79.39 -20.21 48.2 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.254 -0.904 . . . . 0.0 113.069 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 -25.6 63.57 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.653 2.381 . . . . 0.0 113.681 158.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.09 -26.18 15.07 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.094 1.758 . . . . 0.0 114.145 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 t -58.93 -31.67 68.87 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.524 2.33 . . . . 0.0 112.104 -162.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.64 3.03 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 125.196 1.398 . . . . 0.0 112.768 -153.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.98 -23.29 28.78 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.11 -34.24 1.68 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.83 1.252 . . . . 0.0 114.342 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -47.65 83.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.584 1.954 . . . . 0.0 112.275 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 mmm -58.38 -32.82 68.95 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.063 -1.648 . . . . 0.0 111.717 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.78 -39.0 56.3 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 125.355 1.455 . . . . 0.0 112.397 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -67.98 -43.29 79.29 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.081 1.752 . . . . 0.0 107.995 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -44.73 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.02 65.59 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.899 -1.125 . . . . 0.0 112.498 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -102.88 12.51 36.06 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.724 2.01 . . . . 0.0 112.776 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.468 ' SG ' HD12 ' A' ' 68' ' ' LEU . 30.4 p -71.63 -21.46 61.83 Favored 'General case' 0 CA--C 1.561 1.373 0 O-C-N 119.761 -1.837 . . . . 0.0 112.696 -163.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 58.31 -5.88 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 131.068 3.747 . . . . 0.0 117.516 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.89 138.36 16.79 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 126.501 1.92 . . . . 0.0 107.274 -169.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -37.08 79.69 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 117.902 -1.519 . . . . 0.0 109.778 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.27 -35.77 78.22 Favored 'General case' 0 N--CA 1.422 -1.872 0 C-N-CA 125.708 1.603 . . . . 0.0 111.245 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.96 -41.81 47.21 Favored Glycine 0 C--O 1.214 -1.134 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 163.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.85 -37.62 76.9 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.659 2.23 . . . . 0.0 113.787 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.73 -32.73 74.44 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 129.947 3.299 . . . . 0.0 113.796 169.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.41 -38.19 63.15 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.057 1.343 . . . . 0.0 111.836 167.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.6 -37.25 83.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.41 1.484 . . . . 0.0 109.744 166.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.54 -39.3 74.08 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.636 1.574 . . . . 0.0 112.629 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.36 91.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.553 168.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -32.11 73.14 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.056 -1.027 . . . . 0.0 112.094 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.59 -55.45 34.36 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.816 1.246 . . . . 0.0 108.739 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.497 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -59.89 -37.19 78.68 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.017 -1.052 . . . . 0.0 113.164 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 55.4 mmtt -67.0 -33.56 75.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 129.058 2.943 . . . . 0.0 113.431 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -70.36 -45.27 66.41 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.73 -25.88 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 120.368 -1.457 . . . . 0.0 114.655 -163.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 34.6 pttt -66.21 -32.48 73.94 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 168.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -93.05 -13.21 28.91 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 130.862 3.665 . . . . 0.0 110.958 -165.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 t -143.78 -131.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 126.721 2.009 . . . . 0.0 107.929 168.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -132.05 -23.2 2.23 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.413 0.0 OUTLIER 35.05 152.16 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 130.191 3.397 . . . . 0.0 117.469 -149.276 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.35 153.09 31.96 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.554 170.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.6 -41.34 81.04 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 122.594 1.188 . . . . 0.0 109.498 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.439 ' HB ' ' CG ' ' A' ' 50' ' ' LYS 0.301 19.3 m -59.35 -35.11 73.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.636 2.774 . . . . 0.0 113.532 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' H ' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.8 -49.71 19.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.284 0.493 . . . . 0.0 110.064 165.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.266 4.9 t0 -64.24 -46.73 82.51 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 117.23 -1.367 . . . . 0.0 111.147 -162.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -46.52 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 123.866 1.793 . . . . 0.0 112.625 -173.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -49.68 70.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 111.317 -2.674 . . . . 0.0 110.163 -166.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -45.84 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 112.615 -2.084 . . . . 0.0 113.274 170.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -59.4 -38.06 79.59 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 121.493 1.951 . . . . 0.0 112.911 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.31 -35.34 79.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.84 62.21 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 129.315 3.046 . . . . 0.0 116.759 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.92 -51.65 31.14 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 127.95 2.5 . . . . 0.0 109.589 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.61 71.36 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 163.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.35 -58.43 9.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 128.832 3.111 . . . . 0.0 109.415 174.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.266 0.4 OUTLIER -69.75 -34.66 74.12 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.315 1.846 . . . . 0.0 113.177 176.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -55.89 -48.7 75.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.625 -1.297 . . . . 0.0 110.508 -173.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.14 74.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.35 -47.82 69.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 123.566 1.651 . . . . 0.0 109.624 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.468 HD12 ' SG ' ' A' ' 27' ' ' CYS . 17.5 mt -67.58 -32.17 72.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.248 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.1 -31.55 61.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 129.987 3.315 . . . . 0.0 110.969 175.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -25.63 64.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.827 0.851 . . . . 0.0 110.768 158.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -93.96 23.38 4.94 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.87 -23.14 4.45 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -165.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.79 -8.04 24.69 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -173.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 48.3 32.07 2.99 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 128.394 2.678 . . . . 0.0 117.788 161.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.4 t -74.2 -54.38 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 122.798 1.285 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.3 -44.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 129.0 2.92 . . . . 0.0 109.568 -172.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -143.65 -62.63 0.4 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.196 2.198 . . . . 0.0 110.294 154.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 p -165.46 9.98 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -164.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.0 t80 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.758 1.623 . . . . 0.0 112.7 -173.32 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 m -67.68 -24.08 65.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -137.72 -0.75 2.1 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 -173.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.0 mtm -146.44 143.34 28.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.21 1.404 . . . . 0.0 112.284 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 -21.96 46.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.478 1.511 . . . . 0.0 114.247 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 mt 58.4 3.23 0.25 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.508 2.323 . . . . 0.0 115.488 -167.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.64 103.31 2.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.206 2.603 . . . . 0.0 108.4 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -74.3 -22.02 59.47 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -164.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -59.34 -31.17 68.94 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.584 1.954 . . . . 0.0 115.371 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.76 -20.51 66.29 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 114.429 -160.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -32.79 68.82 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.167 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -22.38 41.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -94.21 -21.07 19.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.276 1.43 . . . . 0.0 112.35 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.33 -45.92 68.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.42 1.088 . . . . 0.0 112.083 155.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.04 57.06 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.482 1.513 . . . . 0.0 113.43 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.25 -25.86 64.41 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.133 2.573 . . . . 0.0 114.54 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mp -118.11 -31.82 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.925 1.69 . . . . 0.0 112.228 -170.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.67 -33.81 56.57 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.035 2.534 . . . . 0.0 115.3 -164.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.25 -40.24 3.95 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.508 1.123 . . . . 0.0 112.861 167.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -48.74 79.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.766 1.226 . . . . 0.0 113.807 -174.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -29.13 69.53 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 119.832 -1.792 . . . . 0.0 112.945 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.08 53.2 Favored Glycine 0 C--O 1.22 -0.777 0 C-N-CA 124.587 1.089 . . . . 0.0 112.259 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -60.38 -43.23 96.79 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 128.009 2.524 . . . . 0.0 109.329 177.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -61.16 -54.66 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.754 1.222 . . . . 0.0 108.824 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.92 62.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.726 -164.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -107.62 12.38 27.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 113.525 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' A' ' 68' ' ' LEU . 32.0 p -66.59 -22.19 66.13 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 120.669 -1.269 . . . . 0.0 112.186 -168.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 54.43 -10.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 1 C-N-CA 133.12 4.568 . . . . 0.0 118.264 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.98 142.79 21.01 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 126.769 2.028 . . . . 0.0 107.646 -166.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.88 -35.89 69.9 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.489 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.98 -35.2 79.39 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 125.754 1.622 . . . . 0.0 111.551 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.02 -40.51 51.19 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 117.917 -1.491 . . . . 0.0 115.682 163.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.76 -44.17 90.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 120.752 2.276 . . . . 0.0 113.059 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 130.461 3.505 . . . . 0.0 114.917 164.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.09 -37.47 64.18 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.205 1.002 . . . . 0.0 111.918 167.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -37.25 82.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.259 1.024 . . . . 0.0 109.872 166.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.29 -40.1 86.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 126.063 1.745 . . . . 0.0 113.065 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.17 74.68 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.196 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -32.62 73.96 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.848 -1.157 . . . . 0.0 111.354 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.33 -56.49 21.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.817 1.647 . . . . 0.0 106.809 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 1.2 mmpm? -59.61 -41.24 89.91 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.522 -0.736 . . . . 0.0 112.348 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -67.09 -35.58 80.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 129.918 3.287 . . . . 0.0 113.664 -175.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.43 -50.54 37.31 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 119.303 0.956 . . . . 0.0 113.139 160.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.11 -29.11 40.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 120.054 -1.654 . . . . 0.0 114.592 -167.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -38.77 91.95 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 168.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -81.53 -13.15 58.44 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 129.574 3.149 . . . . 0.0 113.276 170.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 t 48.39 105.11 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 130.257 3.423 . . . . 0.0 116.853 163.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.294 2.5 pt-20 -141.09 28.93 1.86 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 111.884 -2.416 . . . . 0.0 113.925 136.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.02 112.07 18.76 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.649 162.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -84.97 -168.59 2.27 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 113.553 -1.658 . . . . 0.0 108.017 170.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -62.61 -37.88 87.99 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 120.306 -1.496 . . . . 0.0 113.565 170.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 -43.51 77.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.609 1.564 . . . . 0.0 114.411 -165.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.54 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -60.78 -48.56 81.25 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 172.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -60.31 -44.36 95.5 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 122.035 0.922 . . . . 0.0 112.196 -158.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -46.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -49.74 69.83 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.878 1.323 . . . . 0.0 108.512 -173.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.01 -45.93 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.747 0 CA-C-N 112.363 -2.199 . . . . 0.0 116.197 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -69.13 -37.43 78.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.046 1.748 . . . . 0.0 113.261 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.44 -27.2 61.3 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.786 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.55 65.03 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 131.476 3.91 . . . . 0.0 115.276 163.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -51.59 45.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 121.272 -0.892 . . . . 0.0 109.122 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.25 -30.83 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.199 -1.364 . . . . 0.0 113.965 165.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 -58.38 14.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 128.63 3.014 . . . . 0.0 109.33 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.273 19.0 tptt -69.94 -34.54 73.57 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 126.441 1.896 . . . . 0.0 114.944 172.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -56.04 -48.38 76.11 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 120.146 1.339 . . . . 0.0 109.888 -168.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.33 -47.72 69.66 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 124.07 1.89 . . . . 0.0 110.073 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.448 HD11 ' SG ' ' A' ' 27' ' ' CYS . 15.1 mt -67.69 -32.09 72.51 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 111.72 -2.491 . . . . 0.0 115.971 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.25 -31.55 60.83 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.265 3.426 . . . . 0.0 112.026 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.52 -27.84 67.32 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.845 158.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -93.17 21.13 6.17 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.803 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.24 -26.37 60.63 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.556 1.543 . . . . 0.0 113.375 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -82.46 127.93 33.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.668 1.987 . . . . 0.0 112.102 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -130.19 126.0 36.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.502 1.121 . . . . 0.0 113.752 -168.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.2 t 57.48 -57.02 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 129.318 3.047 . . . . 0.0 115.814 -170.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -145.55 -28.6 0.44 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.96 2.504 . . . . 0.0 113.428 -169.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -164.01 -54.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.51 1.524 . . . . 0.0 112.508 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.0 p -168.55 20.78 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -162.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.383 1.473 . . . . 0.0 112.666 -165.097 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -62.61 147.18 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.961 1.304 . . . . 0.0 114.099 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -63.66 160.55 16.7 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.611 1.165 . . . . 0.0 113.062 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.9 mtt -136.3 134.85 38.41 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.229 1.412 . . . . 0.0 111.489 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.6 mt -71.67 -28.02 63.45 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.35 1.6 1.79 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.868 1.267 . . . . 0.0 114.054 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 53.97 35.16 21.29 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.564 1.546 . . . . 0.0 113.877 -169.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -136.57 136.78 39.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.38 1.872 . . . . 0.0 111.225 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -57.62 -31.25 66.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.037 2.135 . . . . 0.0 116.035 -161.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -74.34 -10.38 59.53 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -173.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -58.51 -32.93 69.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.523 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.461 0.0 OUTLIER -81.68 -22.12 37.66 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 117.7 2.481 . . . . 0.0 117.7 179.616 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -92.43 -22.58 19.54 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.691 2.396 . . . . 0.0 114.549 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -74.6 -38.16 62.67 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.303 -1.498 . . . . 0.0 111.606 161.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.61 3.06 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.273 2.229 . . . . 0.0 114.12 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -58.93 -28.42 66.22 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 128.431 2.693 . . . . 0.0 114.031 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.61 -1.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.536 0 C-N-CA 127.613 2.365 . . . . 0.0 111.148 -173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.14 -21.89 49.64 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.719 2.008 . . . . 0.0 113.742 -166.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -127.49 -59.47 1.22 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 111.599 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -57.17 -48.4 78.83 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -166.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.6 mmm -58.38 -37.46 75.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.743 1.217 . . . . 0.0 113.265 -174.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -39.01 56.59 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 123.424 0.535 . . . . 0.0 112.105 169.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -61.23 -43.26 99.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.073 1.349 . . . . 0.0 109.847 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 pt -71.45 -45.63 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 169.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.91 65.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.53 0.604 . . . . 0.0 111.579 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -108.11 12.49 26.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.954 2.101 . . . . 0.0 113.571 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.458 ' SG ' HD11 ' A' ' 68' ' ' LEU . 28.6 p -69.12 -21.73 64.01 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 119.215 -2.178 . . . . 0.0 114.267 -168.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 60.71 -4.69 0.12 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 130.233 3.413 . . . . 0.0 116.436 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 p -153.91 137.03 15.57 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 125.986 1.714 . . . . 0.0 107.669 -169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -36.44 76.4 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 122.873 1.321 . . . . 0.0 109.614 175.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.27 -34.93 75.98 Favored 'General case' 0 N--CA 1.425 -1.675 0 C-N-CA 125.728 1.611 . . . . 0.0 111.784 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -42.09 46.24 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.453 163.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -58.76 -42.66 89.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 120.498 2.149 . . . . 0.0 113.531 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.43 -33.14 70.89 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 129.914 3.286 . . . . 0.0 114.55 167.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.45 -38.59 62.95 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.638 1.175 . . . . 0.0 111.481 168.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.68 -37.2 83.21 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.766 1.226 . . . . 0.0 110.139 167.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.56 -45.63 78.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 124.975 1.31 . . . . 0.0 111.306 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.59 82.71 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.833 170.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.4 73.55 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.779 -1.201 . . . . 0.0 111.653 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.55 -56.41 22.3 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.905 1.682 . . . . 0.0 108.563 168.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -38.29 81.97 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.976 -1.077 . . . . 0.0 113.565 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 59.4 mmtt -67.23 -41.2 86.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 129.154 2.982 . . . . 0.0 113.311 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -70.46 -38.37 74.44 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 171.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.45 -35.69 73.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.529 -1.357 . . . . 0.0 114.143 -166.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 34.7 pttt -63.25 -32.02 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.44 -11.18 52.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.482 3.113 . . . . 0.0 111.203 -167.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 t -138.34 -92.55 0.2 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.327 167.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.25 -35.19 0.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 165.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER 43.95 164.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 123.475 1.607 . . . . 0.0 115.046 -148.611 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -121.21 173.99 6.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.357 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -53.45 -44.05 68.58 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.248 1.023 . . . . 0.0 109.867 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -59.49 -41.98 91.06 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.333 1.453 . . . . 0.0 114.278 -170.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.71 -51.14 52.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.822 1.646 . . . . 0.0 108.936 171.16 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.35 -45.87 91.95 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.432 1.493 . . . . 0.0 113.116 -161.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -46.36 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.945 0.898 . . . . 0.0 111.999 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -49.77 70.44 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.754 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -67.9 -46.08 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 0 CA-C-N 113.01 -1.904 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -69.3 -36.15 76.73 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 122.357 2.344 . . . . 0.0 111.737 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.27 -30.83 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.031 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -49.51 40.45 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 130.075 3.35 . . . . 0.0 116.366 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.43 -51.65 27.88 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.571 3.548 . . . . 0.0 110.703 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -30.48 71.17 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 159.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.19 -57.35 10.27 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 127.906 2.67 . . . . 0.0 110.366 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -34.67 74.09 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 128.652 2.781 . . . . 0.0 113.216 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -55.91 -48.8 75.01 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.983 0.913 . . . . 0.0 109.524 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.22 75.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.35 -47.67 69.76 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.708 1.242 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' ' 27' ' ' CYS . 16.8 mt -67.61 -33.06 74.23 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 112.179 -2.282 . . . . 0.0 115.647 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -75.29 -32.34 60.98 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 130.183 3.393 . . . . 0.0 111.366 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -72.64 -11.26 60.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 111.163 159.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -113.02 21.58 15.25 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.121 1.368 . . . . 0.0 113.695 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.57 -22.73 23.27 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.686 1.594 . . . . 0.0 114.753 -167.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.99 -23.15 63.1 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -172.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 39.48 40.01 0.55 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 129.657 3.183 . . . . 0.0 115.423 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.3 t -135.69 137.79 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.896 2.079 . . . . 0.0 108.02 161.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 56.72 -34.49 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 131.193 3.797 . . . . 0.0 118.979 171.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.8 -32.72 62.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.138 1.775 . . . . 0.0 110.557 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 p -146.25 145.43 30.39 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.532 2.333 . . . . 0.0 109.819 162.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.2 p90 . . . . . 0 C--O 1.256 1.419 0 CA-C-O 117.653 -1.165 . . . . 0.0 112.574 -168.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -59.39 153.31 19.34 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.429 1.092 . . . . 0.0 113.689 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -134.06 -0.91 3.01 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.49 157.28 38.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.018 1.327 . . . . 0.0 113.269 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.5 mt -79.07 -20.45 48.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.978 1.311 . . . . 0.0 113.887 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 tp 54.45 23.11 4.26 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 126.949 2.099 . . . . 0.0 114.575 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -154.07 110.35 3.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.73 2.012 . . . . 0.0 110.507 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.16 -18.83 65.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -78.09 -33.07 50.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.76 -44.0 82.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.315 -1.491 . . . . 0.0 113.589 -150.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -67.03 -32.89 74.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.775 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mp -72.52 -35.83 68.19 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.168 0.987 . . . . 0.0 112.668 171.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -82.68 -18.72 39.96 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.49 -0.756 . . . . 0.0 111.566 -171.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.98 -37.43 55.16 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.306 1.842 . . . . 0.0 114.205 157.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.21 66.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.152 1.781 . . . . 0.0 113.505 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -32.69 69.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.711 2.404 . . . . 0.0 113.666 -163.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 9.9 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 127.821 2.448 . . . . 0.0 110.193 -156.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.09 -21.5 39.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.506 1.922 . . . . 0.0 114.075 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.64 -57.95 0.99 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.575 1.15 . . . . 0.0 112.844 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.47 -44.34 84.76 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.953 0.797 . . . . 0.0 112.996 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.41 -33.57 69.8 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.894 -1.129 . . . . 0.0 112.093 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 -39.05 54.66 Favored Glycine 0 C--O 1.22 -0.756 0 C-N-CA 125.076 1.322 . . . . 0.0 111.457 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.261 0.1 OUTLIER -67.7 -43.4 80.17 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.121 1.368 . . . . 0.0 108.459 -174.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -41.78 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -22.77 67.08 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.344 -0.847 . . . . 0.0 112.238 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 t -101.82 12.28 37.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.767 2.027 . . . . 0.0 113.08 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.454 ' SG ' HD13 ' A' ' 68' ' ' LEU . 21.0 p -70.65 -18.77 62.85 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 119.96 -1.712 . . . . 0.0 111.962 -163.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 56.34 -3.21 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.298 1 C-N-CA 131.899 4.08 . . . . 0.0 117.067 167.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -154.05 142.45 20.63 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 129.121 2.969 . . . . 0.0 106.373 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.84 -34.96 69.71 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 118.012 -1.475 . . . . 0.0 109.535 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.62 -35.08 78.41 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 126.109 1.764 . . . . 0.0 110.773 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -42.04 46.63 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 116.468 1.347 . . . . 0.0 116.468 163.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 tp -58.78 -41.43 86.63 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 119.936 1.868 . . . . 0.0 113.857 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.27 -33.37 73.43 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 129.623 3.169 . . . . 0.0 114.292 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.42 -39.13 62.81 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 111.513 169.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.6 -37.21 83.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.332 1.853 . . . . 0.0 108.956 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -67.98 -45.98 72.62 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.371 1.068 . . . . 0.0 111.574 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.05 77.33 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.001 171.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -32.94 74.43 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.536 -1.352 . . . . 0.0 112.219 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.55 -56.18 25.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.971 1.309 . . . . 0.0 109.571 167.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 mmpt? -59.89 -37.42 79.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.077 -1.015 . . . . 0.0 113.158 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -65.57 -42.13 92.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 129.485 3.114 . . . . 0.0 112.382 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -70.31 -45.9 65.32 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.11 -24.22 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 126.966 2.106 . . . . 0.0 116.428 -162.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.53 -30.77 33.05 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 -11.22 58.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 131.328 3.851 . . . . 0.0 111.514 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 t -148.4 -147.2 0.22 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.273 1.429 . . . . 0.0 111.706 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -138.52 40.52 2.22 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.691 1.996 . . . . 0.0 111.692 -152.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.36 110.78 0.21 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.486 1.514 . . . . 0.0 109.309 168.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 166.7 19.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 112.918 -1.946 . . . . 0.0 109.704 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -53.67 -43.64 69.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.118 0.485 . . . . 0.0 112.263 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.355 1.062 . . . . 0.0 113.515 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.73 -47.49 84.98 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -62.02 -46.6 88.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.82 -167.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -46.57 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 119.557 -0.857 . . . . 0.0 113.299 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.92 69.05 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.153 0.978 . . . . 0.0 111.918 -171.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -46.1 82.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 113.956 -1.474 . . . . 0.0 113.285 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -68.32 -37.8 80.93 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.381 0.991 . . . . 0.0 110.638 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.43 -30.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.912 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.9 65.93 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 128.964 2.906 . . . . 0.0 115.872 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -67.43 -51.59 49.8 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.24 2.216 . . . . 0.0 109.67 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.65 71.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.837 0.855 . . . . 0.0 112.914 164.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.09 16.06 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 129.335 3.35 . . . . 0.0 109.513 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.251 5.5 tttt -69.81 -34.77 74.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 127.006 2.123 . . . . 0.0 113.369 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -56.12 -49.39 74.03 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -173.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.28 74.0 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.577 -0.702 . . . . 0.0 112.612 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.29 -47.83 69.45 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 123.67 1.7 . . . . 0.0 109.839 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD13 ' SG ' ' A' ' 27' ' ' CYS . 16.7 mt -67.58 -32.63 73.52 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 112.218 -2.265 . . . . 0.0 115.203 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.04 -32.03 61.46 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 110.71 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.37 -32.09 70.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.966 159.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 73' ' ' ASP . 13.3 t -73.5 -36.86 65.82 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 47.12 -13.86 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 1 C-N-CA 133.854 4.862 . . . . 0.0 117.292 -170.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 71' ' ' SER . 14.2 t70 41.99 -148.77 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.605 2.362 . . . . 0.0 111.817 -171.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.31 132.34 0.11 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.254 2.622 . . . . 0.0 112.344 133.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t 56.55 -52.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 129.346 3.058 . . . . 0.0 116.099 -167.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -149.54 -34.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 128.216 2.606 . . . . 0.0 112.958 -165.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.563 ' C ' ' HG ' ' A' ' 78' ' ' SER . 46.6 mt-10 -153.07 -59.43 0.14 Allowed 'General case' 0 C--N 1.347 0.48 0 C-N-CA 126.55 1.94 . . . . 0.0 111.402 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.563 ' HG ' ' C ' ' A' ' 77' ' ' GLU . 54.8 m -165.68 23.78 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.856 1.262 . . . . 0.0 113.896 -166.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.256 1.396 0 C-N-CA 126.015 1.726 . . . . 0.0 114.777 -170.088 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.93 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -69.54 -16.98 63.53 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -149.7 166.83 28.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.2 1.8 . . . . 0.0 112.029 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.08 156.55 14.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.861 1.264 . . . . 0.0 113.006 173.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.5 -29.46 70.73 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.5 tp 60.86 -25.14 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 129.231 3.012 . . . . 0.0 117.004 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -147.92 134.4 19.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.252 2.221 . . . . 0.0 110.36 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -62.13 -28.26 69.51 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -57.93 -31.25 66.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.901 2.08 . . . . 0.0 115.827 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.97 -12.65 61.66 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.632 -1.292 . . . . 0.0 114.139 -167.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -32.93 69.13 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.065 0.459 . . . . 0.0 111.259 171.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -23.39 39.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -90.93 -23.14 20.56 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 125.325 1.45 . . . . 0.0 112.177 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.21 -34.84 59.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.375 1.47 . . . . 0.0 112.782 160.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -36.24 71.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.844 2.058 . . . . 0.0 114.142 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -58.86 -33.44 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 128.072 2.549 . . . . 0.0 113.089 -162.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.27 6.11 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 C-N-CA 127.425 2.29 . . . . 0.0 110.57 -154.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.4 -34.19 74.14 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.77 2.028 . . . . 0.0 113.963 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -138.7 -28.85 0.81 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.036 1.334 . . . . 0.0 114.259 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -47.34 82.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.665 1.986 . . . . 0.0 112.771 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.7 mmm -58.35 -33.15 69.23 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 119.905 -1.747 . . . . 0.0 112.019 174.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -39.04 54.85 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-O 119.47 -0.628 . . . . 0.0 111.717 169.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 1.1 ptmt -65.09 -43.31 92.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 125.004 1.321 . . . . 0.0 107.91 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -42.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.82 66.88 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.124 -0.985 . . . . 0.0 112.218 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.18 12.5 21.84 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.115 2.166 . . . . 0.0 113.87 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.7 p -64.18 -17.64 63.71 Favored 'General case' 0 CA--C 1.554 1.129 0 O-C-N 120.632 -1.292 . . . . 0.0 114.13 -167.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 59.89 -7.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 131.226 3.81 . . . . 0.0 117.444 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -153.98 139.89 18.19 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 126.374 1.87 . . . . 0.0 107.169 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -36.13 75.83 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.833 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.06 -34.79 78.34 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 126.002 1.721 . . . . 0.0 111.444 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.93 -41.81 47.45 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 116.606 1.402 . . . . 0.0 116.606 162.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.79 -39.87 82.35 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 119.842 1.821 . . . . 0.0 113.534 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.96 -33.53 75.59 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 129.947 3.299 . . . . 0.0 114.559 168.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.28 -38.73 63.33 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.508 1.123 . . . . 0.0 111.405 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.78 -37.09 83.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.209 1.404 . . . . 0.0 109.957 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -66.91 -43.98 81.95 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 125.016 1.326 . . . . 0.0 112.028 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.5 79.23 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.363 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.5 73.76 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 120.352 -1.468 . . . . 0.0 112.343 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.76 -56.32 23.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.289 1.836 . . . . 0.0 108.876 167.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.4 mmpt? -61.15 -36.29 79.39 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.295 -0.878 . . . . 0.0 113.3 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -66.82 -40.78 88.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 129.771 3.228 . . . . 0.0 113.125 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -70.18 -43.42 70.83 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.326 0.7 OUTLIER -73.65 -12.04 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 122.322 2.328 . . . . 0.0 114.418 -155.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -25.76 34.78 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.792 2.037 . . . . 0.0 115.644 164.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.86 -21.62 60.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.581 2.753 . . . . 0.0 111.393 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 t -129.69 -118.5 0.23 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.892 1.677 . . . . 0.0 109.284 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.262 4.6 pt-20 -143.14 -26.2 0.59 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 167.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.446 0.0 OUTLIER 38.91 -179.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.201 1.801 . . . . 0.0 115.742 -152.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 168.63 19.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.523 -1.671 . . . . 0.0 109.66 176.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.18 -43.17 74.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.808 0.813 . . . . 0.0 110.461 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -59.76 -32.59 70.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.432 1.493 . . . . 0.0 114.969 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.45 -51.41 14.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.646 0.736 . . . . 0.0 109.127 167.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.18 -46.69 76.48 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.839 -158.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.62 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 121.968 0.89 . . . . 0.0 111.658 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -49.96 68.76 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.99 -167.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -46.05 82.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.625 175.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.72 76.68 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 120.671 1.578 . . . . 0.0 110.88 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.43 -33.06 75.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.292 -0.963 . . . . 0.0 112.845 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -42.16 68.4 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 129.578 3.151 . . . . 0.0 115.655 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.45 -51.58 55.39 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.36 2.264 . . . . 0.0 109.749 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.66 68.76 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.25 1.42 . . . . 0.0 112.593 164.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.99 32.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 128.645 3.021 . . . . 0.0 109.006 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -34.61 74.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 126.204 1.802 . . . . 0.0 113.926 172.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -56.7 -48.0 78.67 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.579 -1.326 . . . . 0.0 110.433 -171.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.3 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.12 -47.69 70.36 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.003 1.382 . . . . 0.0 109.615 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 HD11 ' SG ' ' A' ' 27' ' ' CYS . 13.9 mt -67.53 -33.05 74.27 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 111.953 -2.385 . . . . 0.0 115.485 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.09 -32.85 61.56 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.675 3.19 . . . . 0.0 111.974 174.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -17.58 63.64 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.158 158.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -105.08 22.67 14.91 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.2 1.0 . . . . 0.0 113.642 172.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.77 -24.58 23.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.29 1.436 . . . . 0.0 112.643 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.79 73.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.061 2.544 . . . . 0.0 112.405 165.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -82.11 169.3 16.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.026 1.73 . . . . 0.0 114.648 -169.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.82 137.37 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.438 1.895 . . . . 0.0 112.929 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 62.47 -32.74 0.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 131.037 3.735 . . . . 0.0 117.542 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -73.46 -30.04 62.92 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.157 1.383 . . . . 0.0 110.771 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.2 p -148.51 8.26 0.79 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 168.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 124.027 0.931 . . . . 0.0 112.467 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 CA-C-O 121.299 0.388 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -73.57 -10.08 59.34 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -57.83 136.93 57.04 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.518 1.127 . . . . 0.0 113.768 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -157.97 162.91 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.17 1.788 . . . . 0.0 111.838 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.85 -45.5 67.62 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.897 0.879 . . . . 0.0 111.994 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -162.38 -38.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 128.446 2.699 . . . . 0.0 109.186 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -134.22 155.62 49.82 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.909 2.084 . . . . 0.0 111.378 165.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.69 -23.65 67.25 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -68.91 -31.23 69.98 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.466 1.906 . . . . 0.0 114.456 -175.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.22 -13.44 60.79 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.135 1.774 . . . . 0.0 114.471 -163.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.83 68.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.7 -22.42 40.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -93.79 -23.98 17.96 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.936 1.694 . . . . 0.0 112.511 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.74 -26.54 54.73 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.622 1.569 . . . . 0.0 113.384 159.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.27 90.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.069 1.747 . . . . 0.0 113.224 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m -58.96 -33.25 70.42 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.838 -1.983 . . . . 0.0 112.863 -154.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.95 3.98 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 C-N-CA 127.133 2.173 . . . . 0.0 111.066 -153.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.87 -31.85 66.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.182 1.793 . . . . 0.0 113.77 -172.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.39 -33.04 0.75 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -48.77 78.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.46 2.304 . . . . 0.0 112.19 -176.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mmm -58.99 -32.77 69.98 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 119.899 -1.751 . . . . 0.0 112.393 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 -38.91 53.33 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 123.556 0.598 . . . . 0.0 111.838 168.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.295 0.4 OUTLIER -63.72 -43.33 96.85 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 120.873 -1.369 . . . . 0.0 109.835 -175.569 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 -54.75 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 166.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.47 -22.13 61.86 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.068 -1.02 . . . . 0.0 113.104 -172.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.5 t -111.23 12.49 21.76 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.942 2.097 . . . . 0.0 114.114 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.21 -33.02 51.08 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.52 -1.362 . . . . 0.0 114.494 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 76.03 -3.91 2.47 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 128.559 2.744 . . . . 0.0 114.035 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 p -147.48 137.95 23.27 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 125.346 1.458 . . . . 0.0 108.132 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -34.94 69.9 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.441 1.591 . . . . 0.0 109.795 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.91 -35.39 72.98 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.015 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.68 51.19 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 165.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.92 -41.75 88.05 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.827 -1.396 . . . . 0.0 112.413 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.0 -32.75 74.64 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 130.189 3.396 . . . . 0.0 114.799 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.68 -43.37 59.53 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.526 1.13 . . . . 0.0 110.521 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -37.15 82.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.324 1.85 . . . . 0.0 110.659 168.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.18 -43.13 99.09 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.941 1.246 . . . . 0.0 111.344 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.77 69.67 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.981 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -33.24 74.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.676 1.58 . . . . 0.0 111.652 -174.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -56.28 23.91 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.794 2.038 . . . . 0.0 109.414 170.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.1 mmpt? -62.0 -35.8 79.61 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -66.96 -40.19 87.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.568 3.147 . . . . 0.0 112.69 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -70.2 -45.26 66.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.29 1.836 . . . . 0.0 115.116 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 t -46.35 -38.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 128.157 2.583 . . . . 0.0 114.681 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.85 -34.05 30.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.76 -16.32 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 130.06 3.344 . . . . 0.0 112.011 -177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -147.54 -144.13 0.15 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.281 1.433 . . . . 0.0 109.601 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -129.47 58.2 1.63 Allowed 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 125.505 1.522 . . . . 0.0 112.481 -161.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.17 86.72 0.27 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.918 1.342 . . . . 0.0 111.575 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.32 166.21 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.794 -1.548 . . . . 0.0 112.824 156.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.56 -35.02 78.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -61.45 -44.74 96.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.755 2.022 . . . . 0.0 112.655 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -61.05 -47.2 87.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.36 -46.59 89.39 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.359 -163.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.72 78.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 172.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -49.94 68.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.638 1.209 . . . . 0.0 109.655 -172.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -45.92 82.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 C-N-CA 126.645 1.978 . . . . 0.0 113.718 173.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.39 -41.67 97.49 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.2 1.818 . . . . 0.0 112.544 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.75 0.786 . . . . 0.0 110.735 -171.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.83 69.39 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 129.74 3.216 . . . . 0.0 116.758 166.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.252 6.4 tt -70.66 -51.62 26.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 128.027 2.531 . . . . 0.0 110.495 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.58 69.35 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 159.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.19 31.74 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 127.004 2.24 . . . . 0.0 109.349 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 25.8 tptt -69.83 -34.62 73.9 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 127.312 2.245 . . . . 0.0 114.372 173.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -47.48 77.62 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 119.972 -1.705 . . . . 0.0 109.609 -168.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.26 76.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.28 -47.77 69.66 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 123.328 1.537 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.263 15.4 mt -67.34 -32.25 73.07 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 112.205 -2.271 . . . . 0.0 114.719 -177.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.32 -31.64 60.69 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 129.907 3.283 . . . . 0.0 111.975 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.21 -11.04 60.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.69 1.196 . . . . 0.0 111.627 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -112.22 24.06 13.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.579 1.552 . . . . 0.0 113.106 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.76 -17.47 56.07 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.257 1.423 . . . . 0.0 114.01 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -126.0 129.47 49.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.708 2.403 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -136.28 128.62 30.14 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -158.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 t 58.08 -56.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 128.614 2.766 . . . . 0.0 114.867 -166.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.63 -40.19 0.2 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 129.106 2.962 . . . . 0.0 112.611 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.28 -55.32 0.09 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.469 2.708 . . . . 0.0 109.897 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.0 p -153.84 162.35 41.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 0.0 110.754 172.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.588 1.155 . . . . 0.0 111.503 178.661 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -135.68 13.25 3.43 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.871 1.268 . . . . 0.0 113.977 -171.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -97.69 -16.06 20.11 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.838 1.255 . . . . 0.0 114.18 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? 55.01 177.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.822 2.049 . . . . 0.0 114.273 -172.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.03 -21.21 59.21 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -166.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -152.26 -50.02 0.11 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.313 1.445 . . . . 0.0 111.929 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -149.44 -52.12 0.15 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.87 1.268 . . . . 0.0 113.146 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -158.22 -61.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.759 0.824 . . . . 0.0 113.014 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.7 -31.38 70.65 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -157.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -72.53 -16.32 61.77 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.521 -1.362 . . . . 0.0 114.266 -160.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -32.91 69.06 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.247 -0.283 . . . . 0.0 111.509 172.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -23.39 37.31 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -95.79 -18.2 20.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.156 1.382 . . . . 0.0 112.401 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.46 -41.07 48.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.663 1.585 . . . . 0.0 111.724 159.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.24 -36.27 41.01 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.007 1.723 . . . . 0.0 114.437 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.76 -32.12 68.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.931 2.492 . . . . 0.0 113.176 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.9 7.87 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 C-N-CA 126.572 1.949 . . . . 0.0 110.734 -155.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.91 -30.39 65.32 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.894 1.677 . . . . 0.0 114.419 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -135.22 -39.06 0.76 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 114.058 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.16 -48.88 77.6 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.428 1.891 . . . . 0.0 112.669 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 mmm -58.62 -30.19 67.06 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 119.968 -1.708 . . . . 0.0 112.19 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.89 -38.91 55.9 Favored Glycine 0 C--O 1.223 -0.591 0 C-N-CA 124.169 0.89 . . . . 0.0 112.01 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 1.4 ptmt -66.06 -43.2 88.11 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.493 1.517 . . . . 0.0 107.932 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -71.62 -41.75 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 118.598 2.814 . . . . 0.0 118.598 163.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.77 66.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.635 -1.916 . . . . 0.0 110.348 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -111.31 12.45 21.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.145 1.778 . . . . 0.0 113.481 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' HG ' HD11 ' A' ' 68' ' ' LEU . 30.6 p -72.14 107.34 4.76 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -175.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 9.21 2.28 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 119.076 -2.265 . . . . 0.0 113.975 -164.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 p -154.14 141.08 19.25 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.92 1.688 . . . . 0.0 108.62 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.77 -35.08 67.37 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 123.358 1.552 . . . . 0.0 110.103 172.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.69 -35.48 74.57 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 125.759 1.624 . . . . 0.0 111.511 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.78 -42.19 47.06 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 164.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.59 -39.68 81.09 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 120.121 1.96 . . . . 0.0 113.523 175.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.07 -33.1 75.0 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 130.039 3.335 . . . . 0.0 113.767 170.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.36 -38.71 63.13 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.952 1.301 . . . . 0.0 111.561 168.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.62 -37.35 83.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.065 1.746 . . . . 0.0 108.675 167.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -69.64 -39.85 76.88 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.465 1.506 . . . . 0.0 112.148 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.19 73.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 169.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -32.06 73.34 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.587 -1.32 . . . . 0.0 111.84 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.41 -56.52 21.01 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 126.229 1.812 . . . . 0.0 109.081 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.5 mmpt? -60.3 -37.77 81.57 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.081 -1.012 . . . . 0.0 113.564 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 59.0 mmtt -67.1 -46.38 74.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 128.914 2.886 . . . . 0.0 112.777 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.33 -37.81 74.76 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.33 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 119.182 -2.199 . . . . 0.0 114.975 -165.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 31.6 pttt -72.41 -33.65 67.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.523 1.529 . . . . 0.0 115.05 168.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.89 -21.85 56.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 128.869 2.868 . . . . 0.0 111.154 -170.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -146.22 -134.73 0.08 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.172 -1.376 . . . . 0.0 113.254 -177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.33 45.03 1.97 Allowed 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 112.641 -149.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -53.1 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 124.079 1.895 . . . . 0.0 109.759 155.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -61.4 170.15 1.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 113.131 -1.85 . . . . 0.0 110.482 155.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.06 -38.49 82.98 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.298 -0.876 . . . . 0.0 112.562 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.9 m -59.45 -48.12 82.85 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 125.314 1.446 . . . . 0.0 113.259 -172.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.76 -47.2 87.39 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.75 -46.51 89.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.827 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.4 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.67 69.97 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.531 1.158 . . . . 0.0 111.899 -172.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.58 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 113.483 -1.689 . . . . 0.0 111.986 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.71 -42.06 95.53 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 119.805 1.184 . . . . 0.0 111.277 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.42 -29.86 70.09 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.591 -0.843 . . . . 0.0 111.364 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.34 -42.51 68.46 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 130.169 3.387 . . . . 0.0 116.459 166.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.59 -51.63 26.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.836 2.454 . . . . 0.0 109.588 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.67 68.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 160.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.32 -54.2 37.52 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 127.681 2.562 . . . . 0.0 109.905 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.71 -34.71 74.27 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 127.09 2.156 . . . . 0.0 111.941 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -55.68 -46.91 77.52 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 120.671 -1.268 . . . . 0.0 110.071 -172.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -36.7 75.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.23 -47.95 69.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 123.591 1.663 . . . . 0.0 110.499 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 HD11 ' HG ' ' A' ' 27' ' ' CYS 0.273 15.9 mt -67.53 -32.05 72.57 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 111.627 -2.533 . . . . 0.0 115.491 -177.665 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.25 -31.5 60.82 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 130.348 3.459 . . . . 0.0 111.918 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -28.71 68.92 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.832 158.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -92.61 17.82 9.62 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 124.101 0.875 . . . . 0.0 113.08 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.18 -24.75 63.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.549 1.539 . . . . 0.0 112.929 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -110.17 118.33 36.09 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.8 2.04 . . . . 0.0 109.121 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -79.95 147.05 31.77 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.43 139.55 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.498 1.519 . . . . 0.0 113.065 -174.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 64.0 -16.52 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 130.625 3.57 . . . . 0.0 117.487 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.01 -27.77 64.95 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.691 0.678 . . . . 0.0 109.76 162.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -141.31 154.62 45.81 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.13 2.172 . . . . 0.0 109.696 157.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.3 p90 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 124.869 1.268 . . . . 0.0 112.328 -175.273 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.79 -37.24 56.17 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.574 1.55 . . . . 0.0 113.152 159.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.13 -40.86 59.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.181 1.792 . . . . 0.0 113.551 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.97 -34.76 72.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.148 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -135.36 8.7 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 C-N-CA 126.958 2.103 . . . . 0.0 110.747 -155.541 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.91 -38.39 79.54 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.425 1.89 . . . . 0.0 113.653 -167.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.43 -27.42 1.56 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.504 1.521 . . . . 0.0 114.084 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -48.42 81.86 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 125.892 1.677 . . . . 0.0 112.769 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.5 mmm -58.44 -30.92 67.29 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 119.908 -1.745 . . . . 0.0 112.266 175.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.89 57.41 Favored Glycine 0 C--O 1.218 -0.9 0 C-N-CA 124.676 1.131 . . . . 0.0 112.112 168.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 1.1 ptmt -69.22 -43.2 74.56 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.974 1.709 . . . . 0.0 108.262 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 61' ' ' LEU . 3.4 pt -69.98 -41.79 79.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.326 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 166.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.81 -22.4 66.61 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.048 1.295 . . . . 0.0 111.938 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -104.64 12.38 33.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.676 1.99 . . . . 0.0 113.069 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.1 p -69.7 -21.57 63.49 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 119.783 -1.823 . . . . 0.0 113.977 -165.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 61.51 -5.93 0.13 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 130.176 3.39 . . . . 0.0 116.831 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -153.83 137.22 15.81 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.727 1.611 . . . . 0.0 107.238 -169.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.667 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.49 -36.55 76.62 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 117.819 -1.553 . . . . 0.0 109.549 175.137 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.6 -36.84 77.09 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 126.232 1.813 . . . . 0.0 111.466 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -41.7 48.12 Favored Glycine 0 C--O 1.214 -1.145 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 164.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HD12 ' A' ' 68' ' ' LEU . 13.9 tp -58.65 -39.2 79.92 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 119.89 1.845 . . . . 0.0 113.807 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.73 -32.76 74.58 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 129.918 3.287 . . . . 0.0 114.458 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.2 -38.8 63.49 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.756 1.223 . . . . 0.0 111.27 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.58 -37.09 82.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.488 1.515 . . . . 0.0 109.195 167.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.95 -39.42 76.06 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 125.269 1.427 . . . . 0.0 112.228 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.38 78.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.587 170.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -33.84 76.36 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.588 1.085 . . . . 0.0 112.98 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.583 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.8 t80 -59.59 -50.39 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.935 2.094 . . . . 0.0 108.437 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.3 mmpt? -69.35 -34.66 74.92 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -62.66 -43.76 97.99 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.811 2.844 . . . . 0.0 112.461 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -69.14 -47.91 63.82 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.583 1.553 . . . . 0.0 114.763 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 40' ' ' TYR . 19.3 m . . . . . 0 CA--C 1.544 0.714 0 O-C-N 120.142 -1.599 . . . . 0.0 114.775 -149.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.042 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -62.76 -45.3 93.34 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 117.336 -3.353 . . . . 0.0 115.998 154.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -59.7 -48.55 81.24 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.42 1.088 . . . . 0.0 113.272 -161.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -60.85 -44.62 96.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.12 -46.53 77.24 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.102 -163.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.5 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -49.87 68.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.73 1.252 . . . . 0.0 112.055 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -45.97 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 113.059 -1.882 . . . . 0.0 112.835 175.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -65.03 -42.25 94.53 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 119.958 1.254 . . . . 0.0 110.714 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.0 -29.93 70.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.461 -173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.63 -44.68 63.93 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 129.538 3.135 . . . . 0.0 116.614 167.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 HG21 ' A' ' 24' ' ' ILE . 6.1 tt -69.36 -51.65 34.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.426 2.29 . . . . 0.0 110.016 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.65 70.64 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 162.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.91 -55.58 25.06 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 128.157 2.789 . . . . 0.0 109.985 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -69.79 -34.74 74.13 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 127.063 2.145 . . . . 0.0 112.868 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.649 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.6 ttt-85 -56.5 -48.06 77.96 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.808 -1.183 . . . . 0.0 109.752 -172.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.18 75.03 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.25 -47.66 70.07 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 123.483 1.611 . . . . 0.0 110.096 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.667 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.4 mt -67.61 -31.84 72.14 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 111.951 -2.386 . . . . 0.0 115.502 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.32 -31.65 60.68 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 130.232 3.413 . . . . 0.0 111.579 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -66.26 -28.56 68.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.777 157.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -93.54 23.77 4.42 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.488 1.439 0 C-N-CA 127.792 2.437 . . . . 0.0 115.394 -173.165 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.56 -25.83 54.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.343 1.457 . . . . 0.0 114.142 159.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.05 79.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.618 1.967 . . . . 0.0 113.755 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.92 -30.91 68.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.66 2.384 . . . . 0.0 113.71 -160.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.252 0.4 OUTLIER -134.98 13.7 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.928 2.491 . . . . 0.0 110.469 -156.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.51 -17.91 26.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.03 1.732 . . . . 0.0 114.532 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -130.45 -59.6 1.02 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.731 1.213 . . . . 0.0 113.659 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -57.38 -46.54 83.31 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.509 1.124 . . . . 0.0 112.287 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.6 mmm -58.48 -35.92 72.95 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.032 1.333 . . . . 0.0 112.504 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.8 57.04 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 123.861 0.743 . . . . 0.0 111.322 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 0.1 OUTLIER -62.0 -43.26 99.22 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 124.686 1.194 . . . . 0.0 109.518 -178.285 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' LEU . 10.1 pt -71.44 -42.03 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 167.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.96 -22.17 66.81 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.09 0.859 . . . . 0.0 110.624 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.29 12.5 21.68 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.193 2.197 . . . . 0.0 114.3 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 68' ' ' LEU . 27.8 p -65.39 -19.15 65.82 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 120.238 -1.539 . . . . 0.0 113.995 -169.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 58.97 -6.91 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 131.855 4.062 . . . . 0.0 116.856 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -153.88 139.5 17.88 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 125.855 1.662 . . . . 0.0 107.41 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.04 -35.61 74.43 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 123.352 1.548 . . . . 0.0 109.727 177.393 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.64 -35.02 76.72 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 126.214 1.806 . . . . 0.0 111.271 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.9 -42.56 44.91 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 118.518 -1.156 . . . . 0.0 115.981 163.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 61' ' ' LEU . 12.1 tp -58.66 -39.32 80.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 120.37 2.085 . . . . 0.0 113.76 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.52 -33.09 74.81 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 129.533 3.133 . . . . 0.0 114.172 169.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.41 -38.68 63.0 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.67 1.188 . . . . 0.0 111.454 168.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.62 -37.21 83.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.483 1.513 . . . . 0.0 110.013 167.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.13 -44.71 79.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.396 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.74 77.63 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.345 170.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.5 73.78 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.496 -1.377 . . . . 0.0 112.291 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.7 -56.14 25.57 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.619 1.567 . . . . 0.0 109.503 167.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.1 mmpt? -59.88 -36.17 76.36 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.946 -1.096 . . . . 0.0 113.67 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.9 -36.89 83.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 129.573 3.149 . . . . 0.0 113.126 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -70.49 -48.52 55.33 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 156.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 119.594 -1.941 . . . . 0.0 115.357 -168.157 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.92 -39.62 92.66 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.462 -0.774 . . . . 0.0 111.959 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.4 m -59.49 -48.45 81.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.056 1.742 . . . . 0.0 113.426 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.85 -45.34 94.88 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -62.05 -46.47 88.99 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 124.083 0.864 . . . . 0.0 111.327 -166.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -46.56 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 122.442 1.115 . . . . 0.0 112.308 -177.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.83 69.35 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.897 -1.501 . . . . 0.0 112.513 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -46.09 82.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 113.746 -1.57 . . . . 0.0 113.523 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.95 -37.29 78.75 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 119.686 1.13 . . . . 0.0 110.57 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.5 -30.0 68.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 112.048 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.75 67.86 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.528 3.131 . . . . 0.0 115.681 167.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 24' ' ' ILE . 4.7 tt -70.6 -51.68 26.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.319 2.248 . . . . 0.0 110.081 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.7 69.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 161.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.4 35.13 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 128.253 2.835 . . . . 0.0 110.159 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -69.67 -34.73 74.38 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 127.269 2.228 . . . . 0.0 112.474 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 9.5 ttt-85 -56.07 -49.47 73.7 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 120.973 -1.08 . . . . 0.0 109.972 -173.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.14 71.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.16 -47.74 70.12 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.302 1.525 . . . . 0.0 110.087 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.661 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.254 16.4 mt -67.49 -32.54 73.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.435 -178.773 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.0 mt-10 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 129.463 3.105 . . . . 0.0 110.945 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.06 -31.96 69.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.004 159.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -74.51 -33.1 62.71 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.095 1.426 . . . . 0.0 114.206 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 131.435 3.894 . . . . 0.0 114.593 -167.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -76.67 -25.82 54.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.718 1.207 . . . . 0.0 113.634 157.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.18 94.25 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.541 1.536 . . . . 0.0 113.57 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 22.0 m -59.26 -33.02 70.54 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 111.809 -2.45 . . . . 0.0 113.351 -153.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -127.12 2.81 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 127.618 2.367 . . . . 0.0 111.164 -157.105 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.56 -30.37 65.8 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.0 1.72 . . . . 0.0 113.486 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.3 -41.35 0.89 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.227 1.411 . . . . 0.0 114.255 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -48.97 77.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.185 2.194 . . . . 0.0 112.924 -174.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.403 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.9 mmm -58.51 -30.53 67.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 119.855 -1.778 . . . . 0.0 112.353 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.94 54.17 Favored Glycine 0 C--O 1.221 -0.712 0 C-N-CA 125.077 1.322 . . . . 0.0 111.146 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.281 0.9 OUTLIER -65.74 -43.18 89.74 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.952 1.701 . . . . 0.0 107.914 -173.624 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 HD12 ' A' ' 61' ' ' LEU . 5.1 pt -71.49 -42.52 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 116.982 2.216 . . . . 0.0 116.982 165.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.24 66.76 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.936 1.243 . . . . 0.0 111.237 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.0 12.44 22.09 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.39 2.276 . . . . 0.0 113.901 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.7 p -63.44 -20.04 65.23 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.57 -5.97 0.05 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 131.246 3.818 . . . . 0.0 117.112 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.92 139.29 17.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.147 1.779 . . . . 0.0 107.533 -168.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.66 -34.49 72.08 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 123.534 1.635 . . . . 0.0 109.699 176.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -61.8 -36.15 80.28 Favored 'General case' 0 N--CA 1.421 -1.91 0 C-N-CA 126.862 2.065 . . . . 0.0 110.923 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.21 46.48 Favored Glycine 0 C--O 1.212 -1.242 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 163.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD22 HD12 ' A' ' 68' ' ' LEU . 13.5 tp -58.81 -38.03 77.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 120.178 1.989 . . . . 0.0 113.604 176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.58 -33.04 74.97 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 129.721 3.208 . . . . 0.0 113.9 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.36 -38.91 63.08 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.588 1.155 . . . . 0.0 111.519 169.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.6 -38.46 87.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.519 1.528 . . . . 0.0 109.652 167.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -65.86 -43.69 87.68 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.184 1.394 . . . . 0.0 112.033 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.7 77.39 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.113 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.24 74.91 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.59 -1.319 . . . . 0.0 111.54 -175.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -59.6 -56.26 24.16 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.354 1.862 . . . . 0.0 109.968 169.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.2 mmpt? -60.59 -37.54 81.71 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -67.1 -42.04 85.25 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.004 2.921 . . . . 0.0 112.085 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -70.37 -44.99 66.95 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' TYR . 4.5 t . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 127.064 2.145 . . . . 0.0 113.686 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.681 0.753 . . . . 0.0 112.778 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.21 -36.44 81.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -62.92 -44.57 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.9 1.68 . . . . 0.0 113.181 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 23.8 t0 -61.39 -47.22 86.81 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.091 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.4 -46.59 89.45 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.408 -162.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -46.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 173.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -49.67 69.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 123.003 1.382 . . . . 0.0 110.401 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -46.02 82.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 112.163 -2.289 . . . . 0.0 114.279 172.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.95 1.705 . . . . 0.0 112.07 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.07 -28.3 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.026 0.917 . . . . 0.0 111.151 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.5 65.35 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 129.299 3.039 . . . . 0.0 116.619 166.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 24' ' ' ILE . 6.3 tt -70.03 -51.54 31.29 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 127.826 2.45 . . . . 0.0 109.789 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.65 69.71 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 161.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.68 -56.29 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 128.202 2.81 . . . . 0.0 110.203 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -69.83 -34.64 73.93 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.245 2.218 . . . . 0.0 113.221 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt-85 -55.95 -48.46 75.72 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.608 -1.308 . . . . 0.0 109.867 -172.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.17 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.1 -47.67 70.49 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 122.978 1.37 . . . . 0.0 109.918 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.1 mt -67.53 -32.56 73.43 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 112.306 -2.225 . . . . 0.0 115.126 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.4 mt-10 -75.12 -32.06 61.29 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 130.124 3.37 . . . . 0.0 111.657 174.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.11 -13.09 61.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.336 1.454 . . . . 0.0 111.9 158.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.9 t -116.1 33.84 5.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.629 1.172 . . . . 0.0 113.886 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.488 1.455 0 C-N-CA 128.391 2.677 . . . . 0.0 116.305 -167.732 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 50' ' ' LYS . 3.4 m-85 . . . . . 0 CA--C 1.554 1.123 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -77.06 -45.88 25.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.559 1.544 . . . . 0.0 113.422 159.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.5 12.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 126.57 1.948 . . . . 0.0 114.656 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -28.08 65.63 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.543 2.737 . . . . 0.0 111.894 -174.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.59 13.22 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 129.004 2.922 . . . . 0.0 111.13 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -99.89 -6.15 27.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.47 1.908 . . . . 0.0 114.48 -175.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.71 -63.57 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.398 1.479 . . . . 0.0 112.791 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -59.45 -44.19 93.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.728 1.211 . . . . 0.0 112.866 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.1 mmm -58.39 -35.29 71.79 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.626 -1.296 . . . . 0.0 113.048 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -38.93 55.01 Favored Glycine 0 C--O 1.216 -0.98 0 C-N-CA 124.097 0.856 . . . . 0.0 111.546 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.258 0.1 OUTLIER -65.03 -43.29 92.88 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.808 1.304 . . . . 0.0 109.118 -175.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 61' ' ' LEU . 1.1 pt -71.33 -41.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 171.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.24 67.49 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.812 -1.18 . . . . 0.0 112.392 174.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -102.35 12.11 37.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.794 2.038 . . . . 0.0 113.149 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.8 p -70.79 -19.4 62.69 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 119.562 -1.961 . . . . 0.0 114.117 -164.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.12 -6.11 0.19 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 130.311 3.445 . . . . 0.0 116.247 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.89 138.28 16.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 125.975 1.71 . . . . 0.0 107.409 -170.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -70.0 -35.6 74.52 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.337 -1.345 . . . . 0.0 109.317 175.122 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -62.35 -35.47 79.21 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 125.496 1.518 . . . . 0.0 111.459 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -40.82 50.7 Favored Glycine 0 C--O 1.212 -1.271 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 164.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.5 tp -58.68 -40.6 84.03 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 120.241 2.021 . . . . 0.0 113.864 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.17 -33.36 74.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 130.146 3.378 . . . . 0.0 114.411 168.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.3 -40.0 62.55 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.661 1.184 . . . . 0.0 111.427 168.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.58 -37.11 82.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.6 1.56 . . . . 0.0 109.402 168.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.07 -44.94 78.83 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.356 1.062 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.44 70.02 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.278 171.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -32.19 73.36 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 120.805 -1.184 . . . . 0.0 112.766 -176.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -59.31 -56.39 22.64 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.605 1.962 . . . . 0.0 109.37 166.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.5 mmpt? -61.6 -35.8 78.89 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.018 -1.051 . . . . 0.0 113.593 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -66.47 -35.15 79.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.955 3.302 . . . . 0.0 113.029 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -69.69 -44.83 69.64 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 125.001 1.32 . . . . 0.0 113.348 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.47 -40.27 65.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.561 1.172 . . . . 0.0 109.979 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.7 m -60.09 -42.79 95.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.254 0.0 OUTLIER -65.83 -50.47 64.51 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.629 2.013 . . . . 0.0 109.044 165.103 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.1 -46.55 77.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -154.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -46.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 122.808 1.289 . . . . 0.0 111.913 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -49.57 70.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.395 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -45.8 83.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 113.31 -1.768 . . . . 0.0 112.559 176.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -33.43 74.84 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 121.165 1.802 . . . . 0.0 111.574 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.42 -33.4 75.62 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.86 68.71 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 130.347 3.459 . . . . 0.0 115.182 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 24' ' ' ILE . 6.5 tt -67.82 -51.51 47.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.923 2.089 . . . . 0.0 110.162 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.28 -30.6 68.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.365 162.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.44 36.72 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 128.066 2.746 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -69.7 -34.8 74.4 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 126.115 1.766 . . . . 0.0 114.1 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.9 ttt-85 -55.8 -47.52 76.99 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.469 -1.394 . . . . 0.0 109.973 -170.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.2 76.22 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.23 -47.75 69.85 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.02 1.391 . . . . 0.0 110.118 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.673 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.3 mt -67.66 -31.9 72.2 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 111.855 -2.429 . . . . 0.0 115.515 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 129.741 3.216 . . . . 0.0 111.945 173.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -20.07 63.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.32 1.048 . . . . 0.0 110.974 158.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -104.37 24.64 11.26 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 126.025 1.73 . . . . 0.0 114.412 -171.138 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.95 -37.37 55.42 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.162 1.785 . . . . 0.0 112.631 164.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.41 1.54 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.023 2.529 . . . . 0.0 115.243 172.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -59.04 -32.46 69.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.129 2.572 . . . . 0.0 113.133 -169.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -130.12 5.96 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 127.992 2.517 . . . . 0.0 110.527 -157.311 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.02 -29.51 65.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.27 1.828 . . . . 0.0 114.085 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.29 -38.69 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.239 1.416 . . . . 0.0 114.128 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -47.01 83.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.34 2.256 . . . . 0.0 113.738 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.414 ' HG3' HG13 ' A' ' 17' ' ' ILE . 11.2 mmm -58.44 -31.13 67.47 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 119.687 -1.883 . . . . 0.0 111.887 174.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.16 -39.01 54.05 Favored Glycine 0 C--O 1.224 -0.503 0 C-N-CA 125.094 1.33 . . . . 0.0 112.27 169.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 1.0 OUTLIER -67.62 -43.18 81.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 125.664 1.586 . . . . 0.0 107.754 -173.64 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.54 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.77 -41.51 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 168.023 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.19 66.95 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.518 -1.364 . . . . 0.0 112.106 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -102.83 12.3 36.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.798 2.439 . . . . 0.0 112.867 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.2 p -69.64 -22.15 63.49 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 120.091 -1.631 . . . . 0.0 113.336 -165.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 61.13 -6.77 0.1 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 131.197 3.799 . . . . 0.0 116.899 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 p -154.01 139.23 17.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 126.131 1.772 . . . . 0.0 107.501 -169.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.24 -36.48 74.52 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.43 -1.708 . . . . 0.0 109.351 175.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -60.94 -37.14 81.33 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 126.196 1.798 . . . . 0.0 111.368 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -40.87 51.05 Favored Glycine 0 C--O 1.213 -1.159 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 164.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD22 HD12 ' A' ' 68' ' ' LEU . 12.6 tp -58.77 -40.32 83.58 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 120.574 2.187 . . . . 0.0 113.422 176.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 129.877 3.271 . . . . 0.0 114.075 169.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.9 -39.33 63.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.583 1.153 . . . . 0.0 111.712 167.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.64 -37.3 83.51 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.113 1.365 . . . . 0.0 109.322 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -68.22 -42.16 80.19 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 125.204 1.401 . . . . 0.0 112.227 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.58 74.83 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.913 169.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -32.38 73.62 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 119.74 1.155 . . . . 0.0 111.546 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.54 -56.36 22.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.052 2.141 . . . . 0.0 108.318 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mmpm? -62.05 -38.51 89.0 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -67.06 -49.27 65.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 128.803 2.841 . . . . 0.0 112.645 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.37 -40.68 73.85 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.467 0.419 0 O-C-N 119.255 -2.153 . . . . 0.0 116.203 -163.368 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -54.35 -41.59 69.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.26 -1.525 . . . . 0.0 111.902 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -59.79 -48.46 81.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.29 -46.08 90.36 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.677 1.58 . . . . 0.0 109.595 174.556 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -46.44 85.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.223 0.952 . . . . 0.0 111.909 -160.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.54 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.72 70.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 122.635 1.207 . . . . 0.0 111.795 -172.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -45.62 83.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.929 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -64.38 -42.08 96.34 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.108 0.867 . . . . 0.0 111.152 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.25 -29.39 69.62 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.42 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.24 67.19 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 129.435 3.094 . . . . 0.0 116.95 166.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.43 -51.75 33.34 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 127.649 2.38 . . . . 0.0 109.861 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.53 69.03 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.7 -55.43 28.9 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 128.211 2.815 . . . . 0.0 109.803 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.256 5.0 tptt -69.84 -34.58 73.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 126.69 1.996 . . . . 0.0 112.785 175.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 30' ' ' LEU . 7.5 ttt-85 -55.9 -48.11 76.21 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 120.744 -1.223 . . . . 0.0 110.046 -173.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.18 75.29 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -67.27 -47.66 70.02 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 123.303 1.525 . . . . 0.0 110.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.51 -32.38 73.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 112.042 -2.344 . . . . 0.0 115.425 -177.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.14 -31.78 61.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 130.114 3.366 . . . . 0.0 111.817 173.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -19.73 63.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.125 158.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -103.78 25.58 9.65 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.086 0.954 . . . . 0.0 113.548 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 125.659 1.584 . . . . 0.0 114.471 -175.286 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.88 -43.28 36.47 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.387 1.475 . . . . 0.0 113.309 156.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.22 -34.57 57.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.642 1.977 . . . . 0.0 113.968 -172.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m -58.95 -31.44 68.7 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.677 2.791 . . . . 0.0 113.297 -170.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.258 0.4 OUTLIER -128.07 16.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 C-N-CA 127.781 2.432 . . . . 0.0 110.468 -161.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -86.44 -24.33 25.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.995 1.718 . . . . 0.0 114.611 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -134.13 -54.2 0.86 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -57.26 -40.77 78.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.815 1.188 . . . . 0.0 112.3 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 mmm -58.63 -36.67 74.45 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.666 1.986 . . . . 0.0 113.313 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.27 -39.02 53.14 Favored Glycine 0 C--O 1.224 -0.501 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -56.14 -48.2 76.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.961 2.104 . . . . 0.0 108.528 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.7 HG21 HD12 ' A' ' 61' ' ' LEU . 9.4 pt -71.69 -46.24 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -21.86 66.51 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.9 t -110.48 12.23 22.95 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 126.969 2.108 . . . . 0.0 113.413 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 68' ' ' LEU . 22.5 p -68.86 -22.07 64.23 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.506 -1.996 . . . . 0.0 113.846 -167.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.63 -3.74 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 130.28 3.432 . . . . 0.0 116.111 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 p -153.88 140.41 18.82 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 126.396 1.879 . . . . 0.0 107.376 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -71.48 -36.25 71.09 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 117.581 -1.647 . . . . 0.0 109.767 175.167 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.44 -36.29 75.65 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 126.27 1.828 . . . . 0.0 111.028 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.17 -41.57 46.58 Favored Glycine 0 C--O 1.214 -1.111 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 165.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 68' ' ' LEU . 11.3 tp -58.8 -38.51 78.76 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.141 1.971 . . . . 0.0 113.851 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 -32.69 74.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 129.769 3.227 . . . . 0.0 114.031 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.48 -41.8 65.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.325 1.05 . . . . 0.0 110.02 168.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.69 -37.19 83.21 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.626 1.57 . . . . 0.0 109.7 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -67.49 -45.07 76.93 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.403 1.081 . . . . 0.0 111.387 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.89 -48.93 76.84 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.162 171.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.05 73.25 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.955 -1.09 . . . . 0.0 111.901 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.54 -56.35 23.06 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.991 2.116 . . . . 0.0 109.023 169.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -60.52 -38.67 85.15 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -66.92 -46.52 74.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 129.54 3.136 . . . . 0.0 112.998 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -70.3 -43.96 69.28 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 119.513 1.051 . . . . 0.0 113.499 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -162.293 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.33 -42.68 78.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 119.766 -1.834 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.96 -43.38 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.845 1.658 . . . . 0.0 115.198 -170.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.584 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.25 -47.31 74.17 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 120.765 1.621 . . . . 0.0 108.79 172.293 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 27.5 t70 -62.03 -46.41 89.3 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.54 1.15 . . . . 0.0 111.81 -153.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -46.3 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.95 1.7 . . . . 0.0 113.965 176.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -49.22 71.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 123.029 1.395 . . . . 0.0 110.136 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -45.9 83.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 112.628 -2.078 . . . . 0.0 110.334 174.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.9 mmt85 -61.04 -35.13 76.09 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 122.092 2.224 . . . . 0.0 113.955 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.01 -34.75 77.09 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.91 64.24 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 129.542 3.137 . . . . 0.0 115.686 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.74 -51.79 25.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.731 2.812 . . . . 0.0 110.425 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.33 -30.69 69.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 160.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.07 -57.0 16.16 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 129.326 3.346 . . . . 0.0 109.258 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -69.77 -34.64 74.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.881 2.072 . . . . 0.0 112.803 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.3 ttt-85 -56.03 -48.94 75.02 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 120.639 -1.288 . . . . 0.0 109.617 -173.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.41 -36.2 73.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.07 -47.73 70.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 123.73 1.728 . . . . 0.0 110.152 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.676 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.26 17.4 mt -67.55 -32.73 73.7 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.325 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.25 -31.44 60.8 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 130.46 3.504 . . . . 0.0 112.137 174.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.27 -28.68 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.079 157.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -91.36 19.05 6.38 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.481 1.115 0 C-N-CA 126.041 1.736 . . . . 0.0 114.243 -170.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.92 -34.13 59.89 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.122 1.769 . . . . 0.0 112.546 160.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.51 73.91 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.362 2.265 . . . . 0.0 114.503 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.01 -28.78 66.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.048 2.139 . . . . 0.0 114.328 -162.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 5.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.731 2.412 . . . . 0.0 110.2 -154.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.42 -31.32 69.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.331 1.853 . . . . 0.0 113.699 -167.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -126.99 -37.55 2.09 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -61.95 -48.91 78.26 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.441 -175.098 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.5 mmm -58.61 -30.83 67.54 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.163 -1.586 . . . . 0.0 111.957 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.86 54.3 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 124.47 1.033 . . . . 0.0 111.693 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -66.65 -43.26 85.07 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 126.112 1.765 . . . . 0.0 107.797 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 24' ' ' ILE . 5.3 pt -71.5 -41.56 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 166.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -21.87 66.84 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.561 -1.337 . . . . 0.0 110.972 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 p -108.86 12.2 25.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.976 1.31 . . . . 0.0 113.771 173.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.6 p -74.4 105.51 5.58 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 120.939 1.699 . . . . 0.0 106.465 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.39 9.56 2.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.606 -1.934 . . . . 0.0 113.309 -166.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 p -153.99 139.2 17.48 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 125.972 1.709 . . . . 0.0 108.443 -164.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.73 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.99 -34.4 68.86 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 123.87 1.795 . . . . 0.0 109.972 173.078 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -58.78 -37.4 76.23 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.846 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.92 57.06 Favored Glycine 0 C--O 1.216 -1.024 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.495 HD11 ' HG ' ' A' ' 61' ' ' LEU . 46.7 tp -58.59 -44.47 89.84 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.244 -1.151 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.32 -32.77 74.37 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.972 3.309 . . . . 0.0 113.706 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.49 -42.29 68.24 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.524 1.13 . . . . 0.0 110.963 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -37.05 82.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.254 1.422 . . . . 0.0 111.734 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.32 -42.13 98.98 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 125.469 1.508 . . . . 0.0 111.163 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.73 71.76 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.414 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -33.99 76.26 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.26 1.846 . . . . 0.0 111.376 -174.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -59.36 -56.44 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.698 1.599 . . . . 0.0 109.624 169.298 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.8 mmpt? -62.13 -34.93 77.28 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.823 -1.173 . . . . 0.0 113.442 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -66.94 -40.35 87.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.965 3.306 . . . . 0.0 112.623 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -70.11 -43.44 71.0 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 114.563 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' TYR . 10.9 t . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 127.058 2.143 . . . . 0.0 114.47 -164.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.293 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.56 -43.3 75.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.452 0.644 . . . . 0.0 110.983 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.6 m -59.49 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.569 1.548 . . . . 0.0 113.555 -170.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.2 -45.59 92.69 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.56 -46.66 84.92 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.607 -168.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -46.66 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.76 69.91 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 123.113 1.435 . . . . 0.0 111.759 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -67.97 -45.86 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 CA-C-N 112.999 -1.91 . . . . 0.0 113.115 175.741 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -62.92 -42.98 99.98 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 119.596 1.089 . . . . 0.0 110.871 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.23 -28.99 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.525 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.28 64.87 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 129.626 3.17 . . . . 0.0 116.906 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' HD11 ' A' ' 33' ' ' LEU . 6.6 tt -70.77 -51.62 25.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 128.669 2.788 . . . . 0.0 110.605 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.7 68.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 159.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.78 -54.9 25.93 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 127.337 2.399 . . . . 0.0 109.749 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.668 2.387 . . . . 0.0 113.205 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.04 -47.47 77.8 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 120.068 1.304 . . . . 0.0 110.279 -170.448 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.38 78.13 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.37 -47.8 69.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.87 1.795 . . . . 0.0 110.422 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.309 16.3 mt -67.71 -32.69 73.5 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 112.17 -2.286 . . . . 0.0 115.5 -176.743 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.25 -31.42 60.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 130.402 3.481 . . . . 0.0 111.689 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.89 -29.27 68.33 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.336 158.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.7 t -93.9 24.62 4.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.483 1.193 0 C-N-CA 127.699 2.399 . . . . 0.0 115.687 -168.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.32 -33.73 59.02 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.91 1.284 . . . . 0.0 113.273 155.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.72 80.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.246 1.818 . . . . 0.0 113.151 -169.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 17' ' ' ILE . 4.5 m -58.85 -24.09 61.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.203 2.601 . . . . 0.0 114.41 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 16' ' ' SER . 1.5 mp -128.88 -4.79 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 127.276 2.231 . . . . 0.0 111.857 -165.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.98 -25.21 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.501 1.92 . . . . 0.0 113.612 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.74 -55.91 1.39 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.207 1.403 . . . . 0.0 111.636 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.24 -48.65 78.29 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 118.798 0.726 . . . . 0.0 112.199 -168.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.6 mmm -58.41 -36.89 74.26 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.212 -1.555 . . . . 0.0 112.488 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.94 55.16 Favored Glycine 0 C--O 1.226 -0.399 0 N-CA-C 112.224 -0.35 . . . . 0.0 112.224 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -43.18 99.19 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 124.441 1.097 . . . . 0.0 111.368 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.586 HG21 HD12 ' A' ' 61' ' ' LEU . 2.2 pt -71.66 -54.39 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 169.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.93 62.13 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -110.5 12.53 22.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.675 1.99 . . . . 0.0 113.577 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.36 -31.72 64.06 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.574 -1.329 . . . . 0.0 114.098 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 73.3 -4.04 2.3 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 127.903 2.481 . . . . 0.0 114.742 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -148.04 137.71 22.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 125.062 1.345 . . . . 0.0 108.086 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.41 -34.42 70.34 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-O 123.612 1.672 . . . . 0.0 110.378 177.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.48 -35.55 74.33 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 112.9 -1.954 . . . . 0.0 110.82 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.78 48.02 Favored Glycine 0 C--O 1.216 -1.001 0 N-CA-C 115.906 1.123 . . . . 0.0 115.906 165.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 68' ' ' LEU . 16.2 tp -58.86 -41.27 86.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 119.214 1.507 . . . . 0.0 112.088 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.76 -33.08 75.04 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 130.581 3.553 . . . . 0.0 114.797 170.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.48 -43.01 61.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.889 1.275 . . . . 0.0 110.637 171.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.29 83.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.972 1.709 . . . . 0.0 111.258 167.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -63.29 -44.37 95.22 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 123.776 0.83 . . . . 0.0 110.915 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.9 79.93 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.855 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.02 73.31 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 120.4 -1.438 . . . . 0.0 112.633 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 1.2 t80 -59.4 -56.47 21.67 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.121 1.769 . . . . 0.0 108.332 166.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -36.9 79.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -67.22 -49.28 65.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.359 2.664 . . . . 0.0 111.826 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -70.42 -42.7 71.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 40' ' ' TYR . 2.2 m . . . . . 0 C--O 1.224 -0.281 0 CA-C-N 121.535 1.971 . . . . 0.0 112.169 -172.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -61.06 -35.06 75.93 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -59.5 -42.35 91.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.425 1.49 . . . . 0.0 113.216 -171.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.86 -51.04 71.01 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 11.6 t70 -60.41 -46.14 91.06 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 127.201 2.2 . . . . 0.0 113.675 -165.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -46.19 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.221 1.009 . . . . 0.0 111.312 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.45 -49.91 69.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.945 -171.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -67.66 -45.98 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 CA-C-N 112.571 -2.104 . . . . 0.0 110.394 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -65.06 -37.31 87.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 122.96 2.618 . . . . 0.0 113.332 -177.24 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.67 -32.61 72.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.73 39.71 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 130.067 3.347 . . . . 0.0 116.637 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HG21 ' A' ' 24' ' ' ILE . 6.9 tt -70.69 -51.65 26.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 129.547 3.139 . . . . 0.0 111.056 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.57 70.51 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 159.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.32 -58.84 8.34 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 127.709 2.576 . . . . 0.0 110.436 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.282 27.2 tptt -69.93 -34.7 73.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 128.229 2.612 . . . . 0.0 114.343 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.02 -46.89 78.66 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.949 -1.719 . . . . 0.0 110.337 -169.093 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.42 78.35 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.19 -47.59 70.45 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.965 1.364 . . . . 0.0 110.784 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.723 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.29 16.4 mt -67.54 -32.4 73.16 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 112.121 -2.309 . . . . 0.0 114.902 -178.224 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.9 mt-10 -75.16 -31.86 61.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 129.903 3.281 . . . . 0.0 111.903 173.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -75.21 -10.4 59.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.822 1.649 . . . . 0.0 111.536 160.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.7 t -116.3 33.6 5.46 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.74 1.216 . . . . 0.0 113.56 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.48 1.059 0 C-N-CA 127.493 2.317 . . . . 0.0 115.552 -172.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.77 -35.04 57.97 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.543 1.537 . . . . 0.0 112.612 162.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.56 -36.73 3.15 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.59 2.356 . . . . 0.0 114.552 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.92 -35.65 73.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.544 2.338 . . . . 0.0 112.842 -171.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.3 4.67 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.374 0 C-N-CA 126.923 2.089 . . . . 0.0 111.079 -157.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.15 -27.53 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -173.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -137.31 -36.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.255 1.422 . . . . 0.0 114.236 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -60.15 -47.66 84.99 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 126.965 2.106 . . . . 0.0 113.022 177.714 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.6 mmm -60.45 -27.6 67.66 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 119.768 -1.833 . . . . 0.0 112.772 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.19 89.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.163 -0.961 . . . . 0.0 112.192 165.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.432 0.0 OUTLIER -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 129.145 2.978 . . . . 0.0 109.151 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG21 ' HB1' ' A' ' 60' ' ' ALA 0.258 43.4 mm -61.0 -54.38 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 126.105 1.762 . . . . 0.0 108.773 172.569 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -23.24 61.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.789 -166.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -108.42 12.45 26.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.409 2.283 . . . . 0.0 113.622 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.9 p -65.41 -20.26 66.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 120.714 -1.241 . . . . 0.0 112.843 -169.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 56.14 -10.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 132.582 4.353 . . . . 0.0 117.665 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 p -153.98 142.04 20.31 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.471 1.908 . . . . 0.0 107.495 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.36 -35.88 71.3 Favored 'General case' 0 C--O 1.211 -0.962 0 C-N-CA 117.79 -1.564 . . . . 0.0 110.056 177.246 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.7 -35.58 80.18 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 126.264 1.826 . . . . 0.0 111.581 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.4 46.26 Favored Glycine 0 C--O 1.212 -1.222 0 N-CA-C 116.141 1.216 . . . . 0.0 116.141 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 68' ' ' LEU . 16.3 tp -58.71 -39.65 81.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 120.398 2.099 . . . . 0.0 114.169 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.23 -33.44 74.58 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 129.914 3.286 . . . . 0.0 114.707 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.36 -38.65 63.15 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.693 1.197 . . . . 0.0 111.233 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.68 -37.11 82.9 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.097 1.359 . . . . 0.0 109.812 167.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.93 -44.6 80.23 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 125.281 1.433 . . . . 0.0 111.664 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.62 75.5 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.472 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -33.34 75.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.444 1.475 . . . . 0.0 111.179 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.67 -56.11 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.619 1.968 . . . . 0.0 108.151 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.3 mmpt? -63.2 -37.9 89.06 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -67.05 -46.65 73.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.347 3.059 . . . . 0.0 112.322 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -70.27 -45.1 67.08 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.292 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -159.693 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.81 -43.15 76.64 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.512 -1.367 . . . . 0.0 110.449 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.1 m -59.7 -45.42 92.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -171.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.1 -48.0 75.23 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.456 1.48 . . . . 0.0 109.035 170.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.85 -46.59 84.3 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.503 1.127 . . . . 0.0 111.458 -157.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -46.49 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.624 -178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -49.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.804 1.287 . . . . 0.0 110.699 -170.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.95 -45.98 82.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 176.744 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -36.43 79.36 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 120.333 1.424 . . . . 0.0 111.257 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.19 -29.2 69.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.759 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.39 -41.67 69.34 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 131.157 3.783 . . . . 0.0 115.478 166.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tt -65.95 -51.59 57.22 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 124.903 1.281 . . . . 0.0 110.822 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.56 71.49 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.457 -1.701 . . . . 0.0 113.375 166.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.83 -57.33 16.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 128.629 3.014 . . . . 0.0 109.604 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -69.94 -34.6 73.66 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 127.277 2.231 . . . . 0.0 113.537 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.623 ' HG3' HD11 ' A' ' 30' ' ' LEU . 10.1 ttt-85 -55.99 -49.31 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 120.446 -1.409 . . . . 0.0 110.31 -172.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.32 72.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -67.32 -47.68 69.83 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.355 1.55 . . . . 0.0 110.24 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.666 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.5 mt -67.4 -32.74 73.84 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.182 -2.281 . . . . 0.0 115.815 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.1 mt-10 -75.3 -31.67 60.74 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 130.304 3.441 . . . . 0.0 112.053 176.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.75 -26.99 65.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.149 158.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -95.45 23.87 5.62 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 126.783 2.033 . . . . 0.0 114.884 -169.824 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 CA--C 1.549 0.918 0 CA-C-O 120.716 0.293 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -76.89 -38.13 54.15 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 125.965 1.706 . . . . 0.0 113.316 158.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.55 55.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.806 2.042 . . . . 0.0 114.152 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -27.68 65.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 127.783 2.433 . . . . 0.0 113.237 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.65 14.83 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 128.361 2.664 . . . . 0.0 110.998 -163.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -99.05 -7.94 26.04 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 127.212 2.205 . . . . 0.0 114.632 -171.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -130.99 -61.79 0.92 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.599 1.16 . . . . 0.0 112.109 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -57.54 -47.9 80.76 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 124.879 1.272 . . . . 0.0 112.936 -174.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.7 mmm -58.44 -35.78 72.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.259 1.424 . . . . 0.0 112.185 -171.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.01 56.08 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 123.979 0.799 . . . . 0.0 111.804 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.0 OUTLIER -62.71 -43.34 99.06 Favored 'General case' 0 N--CA 1.433 -1.322 0 C-N-CA 125.852 1.661 . . . . 0.0 109.317 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.661 HG21 HD12 ' A' ' 61' ' ' LEU . 8.6 pt -70.17 -44.33 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 168.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.08 65.41 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.617 0.644 . . . . 0.0 111.754 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -105.71 12.34 31.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.889 2.076 . . . . 0.0 113.657 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 68' ' ' LEU . 25.6 p -68.94 -23.74 64.19 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 119.298 -2.127 . . . . 0.0 113.467 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 58.71 -4.99 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.705 3.602 . . . . 0.0 116.566 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.9 p -153.63 139.19 17.79 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.874 1.67 . . . . 0.0 107.172 -169.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -70.03 -35.83 74.62 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.588 176.173 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.07 -35.05 77.46 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 126.335 1.854 . . . . 0.0 111.34 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.94 -43.63 40.28 Favored Glycine 0 C--O 1.211 -1.288 0 CA-C-O 118.436 -1.202 . . . . 0.0 115.756 163.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 68' ' ' LEU . 11.9 tp -58.56 -37.74 76.37 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.494 2.147 . . . . 0.0 113.224 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -32.8 74.59 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 129.837 3.255 . . . . 0.0 114.265 169.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.24 -39.03 63.33 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.434 1.093 . . . . 0.0 110.933 168.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.77 -39.21 90.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.994 1.717 . . . . 0.0 109.575 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -63.77 -45.71 88.54 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 125.17 1.388 . . . . 0.0 110.731 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -48.83 71.8 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.498 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -33.7 75.73 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.687 -1.258 . . . . 0.0 112.001 -175.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -56.51 21.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.736 2.014 . . . . 0.0 109.13 170.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -61.58 -36.47 80.76 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.89 -1.131 . . . . 0.0 113.304 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -66.97 -42.05 85.8 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.929 2.891 . . . . 0.0 113.278 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -70.28 -42.9 71.47 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -161.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -55.94 -44.55 78.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 119.687 -1.883 . . . . 0.0 111.57 174.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.95 -45.21 93.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -168.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.573 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.28 -48.67 72.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.747 1.612 . . . . 0.0 109.044 171.053 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.3 -46.44 88.75 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 124.292 0.995 . . . . 0.0 111.428 -161.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -46.53 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.69 69.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.603 1.192 . . . . 0.0 111.393 -171.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -45.7 83.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.128 175.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.14 -43.62 98.42 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 119.653 1.115 . . . . 0.0 110.784 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.66 -28.73 68.69 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.809 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -45.78 61.99 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 129.737 3.215 . . . . 0.0 115.821 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.57 -51.79 26.04 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.132 2.573 . . . . 0.0 110.539 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.59 69.87 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 159.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.01 -56.66 17.74 Favored Glycine 0 C--O 1.223 -0.548 0 C-N-CA 128.51 2.957 . . . . 0.0 109.753 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -69.76 -34.61 74.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 128.298 2.639 . . . . 0.0 112.439 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.3 ttt-85 -55.82 -48.8 74.8 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.209 -0.932 . . . . 0.0 109.564 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.17 75.2 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.25 -47.63 70.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 123.566 1.651 . . . . 0.0 109.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.664 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.2 mt -67.6 -32.47 73.22 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.165 -2.289 . . . . 0.0 115.147 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.29 -32.47 61.0 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 130.29 3.436 . . . . 0.0 112.082 173.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.72 -15.19 62.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.845 1.258 . . . . 0.0 110.843 158.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.5 t -108.22 24.33 13.16 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 172.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 125.68 1.592 . . . . 0.0 114.713 -170.659 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 120.574 0.226 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.6 -39.72 64.4 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.94 159.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.85 -39.45 39.11 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.356 1.863 . . . . 0.0 113.94 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' HD12 ' A' ' 17' ' ' ILE . 2.8 m -58.96 -25.26 63.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.019 2.127 . . . . 0.0 114.629 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -116.18 -0.33 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 127.303 2.241 . . . . 0.0 110.924 -173.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.1 -14.93 49.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.703 1.601 . . . . 0.0 113.974 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.15 -72.33 0.69 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.422 1.489 . . . . 0.0 110.952 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.72 -48.66 80.38 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 124.475 1.11 . . . . 0.0 113.633 -167.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 32.6 mmm -58.46 -36.79 74.23 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.587 1.085 . . . . 0.0 113.023 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.09 -38.98 54.63 Favored Glycine 0 C--O 1.223 -0.554 0 CA-C-O 119.436 -0.646 . . . . 0.0 111.956 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.26 0.0 OUTLIER -61.99 -43.26 99.22 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 125.144 1.377 . . . . 0.0 109.688 -178.172 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD12 ' A' ' 61' ' ' LEU . 4.9 pt -70.81 -45.71 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 170.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.08 -21.8 65.25 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 118.758 0.708 . . . . 0.0 111.4 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.5 t -104.81 12.39 32.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.014 2.126 . . . . 0.0 113.453 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.0 p -68.78 -25.27 64.62 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.352 -2.093 . . . . 0.0 113.157 -168.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 57.5 -3.22 0.05 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 131.363 3.865 . . . . 0.0 116.8 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.1 p -153.7 139.73 18.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.956 1.702 . . . . 0.0 107.429 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.16 -36.39 74.69 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.55 1.643 . . . . 0.0 110.018 176.483 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 113.011 -1.904 . . . . 0.0 111.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -42.7 43.82 Favored Glycine 0 C--O 1.215 -1.078 0 CA-C-O 118.496 -1.169 . . . . 0.0 115.847 162.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HD12 ' A' ' 68' ' ' LEU . 13.7 tp -58.7 -41.0 85.29 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 120.251 2.025 . . . . 0.0 113.962 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.39 -33.79 72.98 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 130.17 3.388 . . . . 0.0 114.624 167.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.19 -39.1 63.4 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.535 1.134 . . . . 0.0 110.962 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.7 mt -61.58 -37.21 83.02 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.87 1.268 . . . . 0.0 110.066 167.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -65.88 -44.91 83.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.556 1.542 . . . . 0.0 111.359 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.98 76.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.704 171.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -32.06 73.18 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.623 -1.298 . . . . 0.0 111.635 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -59.56 -56.4 22.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.298 1.839 . . . . 0.0 108.493 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -60.95 -36.97 80.77 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.591 -1.318 . . . . 0.0 113.292 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -67.04 -46.83 73.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.821 2.848 . . . . 0.0 113.361 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -70.32 -39.12 74.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 170.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.327 -0.395 0 O-C-N 119.509 -1.994 . . . . 0.0 114.215 -166.435 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.81 -40.98 76.96 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 119.988 -1.695 . . . . 0.0 111.617 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 m -59.44 -45.66 90.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -169.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.581 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.19 -50.51 67.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.038 1.29 . . . . 0.0 108.635 174.647 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.27 -45.13 94.38 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.931 1.292 . . . . 0.0 113.028 -160.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -46.32 80.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 124.545 1.138 . . . . 0.0 111.982 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -49.77 70.52 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.08 0.943 . . . . 0.0 108.628 -173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.63 -46.01 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-N 112.74 -2.027 . . . . 0.0 111.958 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -69.26 -37.41 77.91 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 122.685 2.493 . . . . 0.0 111.481 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.99 -30.88 70.25 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.939 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.32 -50.26 34.22 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 129.742 3.217 . . . . 0.0 116.468 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 24' ' ' ILE . 4.6 tt -70.75 -51.62 26.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.6 3.56 . . . . 0.0 110.405 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.64 71.73 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 161.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.62 -59.09 6.23 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 128.084 2.754 . . . . 0.0 110.549 170.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.78 -34.7 74.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 128.921 2.889 . . . . 0.0 112.539 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.2 ttt-85 -55.88 -49.62 72.88 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 124.521 1.129 . . . . 0.0 109.619 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.28 75.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.29 -47.74 69.72 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.277 1.513 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.684 ' HB2' HD12 ' A' ' 30' ' ' LEU . 18.0 mt -67.56 -32.18 72.76 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 112.514 -2.13 . . . . 0.0 115.695 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.2 mt-10 -75.17 -31.58 61.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.747 3.619 . . . . 0.0 112.155 174.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.75 -27.47 66.81 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.92 157.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -93.28 21.91 5.62 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 127.518 2.327 . . . . 0.0 115.28 -171.833 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -76.57 -28.81 56.37 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.404 1.482 . . . . 0.0 113.49 158.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -42.83 68.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 113.35 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.537 ' C ' HD12 ' A' ' 17' ' ' ILE . 5.0 m -59.35 -22.12 60.83 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.123 2.169 . . . . 0.0 114.267 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.537 HD12 ' C ' ' A' ' 16' ' ' SER . 1.7 mp -126.06 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.637 2.375 . . . . 0.0 111.634 -168.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.35 -25.05 57.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.991 1.716 . . . . 0.0 113.611 -167.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.7 -54.72 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.624 1.569 . . . . 0.0 112.291 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -57.07 -46.01 82.82 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.282 0.946 . . . . 0.0 113.039 -167.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 mmm -58.31 -39.39 79.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.259 1.424 . . . . 0.0 113.1 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.08 55.86 Favored Glycine 0 C--O 1.221 -0.669 0 O-C-N 121.917 -0.49 . . . . 0.0 112.239 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.301 0.1 OUTLIER -58.98 -43.22 91.36 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 118.322 1.061 . . . . 0.0 111.525 -178.672 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 61' ' ' LEU . 5.2 pt -71.53 -54.48 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 170.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.33 -22.03 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.546 -0.722 . . . . 0.0 111.926 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -111.31 12.53 21.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.92 2.088 . . . . 0.0 114.274 172.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.52 -31.69 66.31 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 120.258 -1.526 . . . . 0.0 113.579 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 69.72 -3.82 1.58 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.278 2.631 . . . . 0.0 114.85 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p -146.19 137.65 24.71 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 125.114 1.366 . . . . 0.0 108.512 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.43 -33.44 69.42 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 123.28 1.514 . . . . 0.0 110.044 178.443 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.35 -34.54 75.46 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.833 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.85 47.63 Favored Glycine 0 C--O 1.216 -1.028 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 164.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 68' ' ' LEU . 22.0 tp -58.66 -42.78 89.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 119.138 1.469 . . . . 0.0 112.298 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.49 -32.92 74.52 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 130.227 3.411 . . . . 0.0 114.149 170.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.27 -42.39 59.69 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.735 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.21 82.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.216 1.806 . . . . 0.0 110.345 167.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.09 -46.16 88.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 119.361 0.982 . . . . 0.0 110.668 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -46.34 83.73 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.508 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.12 77.6 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.972 1.26 . . . . 0.0 112.387 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -59.59 -56.39 22.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 109.259 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -60.29 -34.68 74.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -49.43 67.13 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 128.191 2.596 . . . . 0.0 111.414 175.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -70.07 -46.04 65.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.424 0 CA-C-N 120.77 1.623 . . . . 0.0 113.11 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.05 -38.69 89.68 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.423 ' HA ' HD11 ' A' ' 55' ' ' ILE . 54.4 m -59.46 -42.49 92.14 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.478 1.511 . . . . 0.0 113.188 -168.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' O ' HG22 ' A' ' 57' ' ' VAL . 8.5 t0 -61.58 -50.76 71.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.31 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.18 -46.23 90.41 Favored 'General case' 0 C--O 1.211 -0.937 0 C-N-CA 128.336 2.655 . . . . 0.0 112.227 -165.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.68 -46.4 79.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 174.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.42 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.59 -49.85 69.52 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 118.545 -1.262 . . . . 0.0 107.662 -172.335 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ASP . 22.9 m -67.86 -46.36 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.113 0 CA-C-N 112.272 -2.24 . . . . 0.0 113.273 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -69.12 -34.25 74.75 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 123.176 2.716 . . . . 0.0 112.864 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.27 -30.57 63.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.332 1.063 . . . . 0.0 111.454 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -46.83 60.21 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 129.676 3.19 . . . . 0.0 116.381 168.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 24' ' ' ILE . 2.3 tt -70.85 -51.72 24.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 129.5 3.12 . . . . 0.0 110.743 -178.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.54 69.85 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 158.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.7 -56.46 20.21 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.705 2.098 . . . . 0.0 109.906 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -69.65 -34.7 74.38 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 129.332 3.053 . . . . 0.0 113.872 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.639 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -55.98 -47.43 77.7 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 119.761 -1.837 . . . . 0.0 110.397 -171.36 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.38 77.13 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.12 -47.78 70.09 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.976 1.37 . . . . 0.0 111.376 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.278 15.4 mt -67.46 -32.58 73.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.033 -2.349 . . . . 0.0 114.782 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.2 -31.98 61.07 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.544 3.538 . . . . 0.0 111.807 173.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.07 -13.63 61.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.635 1.174 . . . . 0.0 111.088 158.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 68' ' ' LEU . 7.2 t -106.19 21.12 17.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.263 1.025 . . . . 0.0 113.361 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 125.981 1.712 . . . . 0.0 113.578 -178.475 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -76.82 -32.07 57.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.085 1.354 . . . . 0.0 112.802 161.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.36 72.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.047 2.139 . . . . 0.0 114.401 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -30.46 68.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.495 2.318 . . . . 0.0 113.581 -161.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.62 7.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 127.643 2.377 . . . . 0.0 110.413 -154.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.43 -25.78 59.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.761 1.624 . . . . 0.0 114.062 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.5 -44.35 1.0 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.088 1.355 . . . . 0.0 113.707 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -48.87 78.89 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.186 1.395 . . . . 0.0 113.079 -174.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 mmm -58.51 -30.36 66.99 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.095 -1.628 . . . . 0.0 112.146 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.88 -38.95 55.92 Favored Glycine 0 C--O 1.222 -0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 112.023 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.04 -43.17 83.45 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 126.323 1.849 . . . . 0.0 107.984 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.595 HG21 HD12 ' A' ' 61' ' ' LEU . 4.0 pt -71.23 -42.54 74.96 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 167.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -22.52 66.13 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.91 1.232 . . . . 0.0 111.964 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.1 t -102.79 12.46 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.37 2.268 . . . . 0.0 112.974 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.8 p -69.11 -23.55 64.01 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.579 -1.951 . . . . 0.0 113.451 -167.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 59.86 -5.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 131.285 3.834 . . . . 0.0 116.586 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 p -154.02 139.19 17.44 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.779 1.631 . . . . 0.0 107.653 -169.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -69.96 -36.18 75.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 117.481 -1.688 . . . . 0.0 109.214 177.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.64 -35.7 78.68 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.403 -176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.33 51.23 Favored Glycine 0 C--O 1.214 -1.11 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 163.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -59.15 -43.56 92.08 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 120.37 2.085 . . . . 0.0 114.303 175.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.81 -32.96 71.13 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 129.887 3.275 . . . . 0.0 113.956 168.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -41.72 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.815 2.446 . . . . 0.0 109.812 171.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.55 -36.95 82.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.019 2.128 . . . . 0.0 109.536 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -69.54 -44.39 71.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 112.26 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.96 97.21 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.073 171.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -33.9 76.63 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.312 0.645 . . . . 0.0 112.712 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.47 -55.34 35.87 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.485 1.514 . . . . 0.0 108.473 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.1 mmpt? -60.4 -34.96 74.68 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.84 -41.63 87.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.836 2.854 . . . . 0.0 112.623 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -70.17 -46.83 63.83 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 126.18 1.792 . . . . 0.0 114.652 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.32 -0.674 0 C-N-CA 127.028 2.131 . . . . 0.0 116.43 -161.778 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 CA-C-O 120.666 0.269 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -59.38 -40.3 86.1 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.149 -0.969 . . . . 0.0 112.555 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.1 m -59.7 -48.34 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.157 1.383 . . . . 0.0 113.621 -171.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.16 -45.2 94.48 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.97 -46.51 87.39 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.19 -166.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.43 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.533 0.682 . . . . 0.0 112.468 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.71 69.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.13 -171.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.93 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.266 1.426 . . . . 0.0 113.816 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -69.09 -36.88 78.05 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 119.587 1.085 . . . . 0.0 111.193 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.36 -31.35 71.53 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.515 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.81 67.69 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 129.754 3.222 . . . . 0.0 115.966 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -68.89 -51.36 40.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 127.217 2.207 . . . . 0.0 109.248 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.84 70.23 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 162.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.62 26.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 128.45 2.928 . . . . 0.0 109.832 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -69.83 -34.54 73.79 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 127.446 2.298 . . . . 0.0 112.895 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.3 ttt180 -55.86 -48.93 74.67 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 124.41 1.084 . . . . 0.0 109.694 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.14 74.25 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.22 -47.74 69.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 123.098 1.427 . . . . 0.0 110.386 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.662 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.3 mt -67.69 -31.94 72.24 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.337 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mt-10 -75.17 -31.56 61.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 130.346 3.458 . . . . 0.0 112.239 173.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -20.55 64.4 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.201 156.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -101.97 21.61 14.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 174.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 126.826 2.051 . . . . 0.0 115.145 -171.535 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 -25.6 63.57 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.653 2.381 . . . . 0.0 113.681 158.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.09 -26.18 15.07 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.094 1.758 . . . . 0.0 114.145 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 t -58.93 -31.67 68.87 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.524 2.33 . . . . 0.0 112.104 -162.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.64 3.03 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 125.196 1.398 . . . . 0.0 112.768 -153.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.98 -23.29 28.78 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.11 -34.24 1.68 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.83 1.252 . . . . 0.0 114.342 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -47.65 83.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.584 1.954 . . . . 0.0 112.275 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 mmm -58.38 -32.82 68.95 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.063 -1.648 . . . . 0.0 111.717 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.78 -39.0 56.3 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 125.355 1.455 . . . . 0.0 112.397 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -67.98 -43.29 79.29 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.081 1.752 . . . . 0.0 107.995 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.473 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.78 -44.73 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.188 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.02 65.59 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.899 -1.125 . . . . 0.0 112.498 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -102.88 12.51 36.06 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.724 2.01 . . . . 0.0 112.776 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.4 p -71.63 -21.46 61.83 Favored 'General case' 0 CA--C 1.561 1.373 0 O-C-N 119.761 -1.837 . . . . 0.0 112.696 -163.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 58.31 -5.88 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 131.068 3.747 . . . . 0.0 117.516 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.89 138.36 16.79 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 126.501 1.92 . . . . 0.0 107.274 -169.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -68.53 -37.08 79.69 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 117.902 -1.519 . . . . 0.0 109.778 174.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.27 -35.77 78.22 Favored 'General case' 0 N--CA 1.422 -1.872 0 C-N-CA 125.708 1.603 . . . . 0.0 111.245 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.96 -41.81 47.21 Favored Glycine 0 C--O 1.214 -1.134 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 163.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -58.85 -37.62 76.9 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.659 2.23 . . . . 0.0 113.787 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.73 -32.73 74.44 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 129.947 3.299 . . . . 0.0 113.796 169.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.41 -38.19 63.15 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.057 1.343 . . . . 0.0 111.836 167.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.6 -37.25 83.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.41 1.484 . . . . 0.0 109.744 166.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.54 -39.3 74.08 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.636 1.574 . . . . 0.0 112.629 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.36 91.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.553 168.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -32.11 73.14 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.056 -1.027 . . . . 0.0 112.094 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.59 -55.45 34.36 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.816 1.246 . . . . 0.0 108.739 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -59.89 -37.19 78.68 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.017 -1.052 . . . . 0.0 113.164 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -67.0 -33.56 75.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 129.058 2.943 . . . . 0.0 113.431 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -70.36 -45.27 66.41 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.327 -0.41 0 O-C-N 120.368 -1.457 . . . . 0.0 114.655 -163.466 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.554 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.6 -41.34 81.04 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 122.594 1.188 . . . . 0.0 109.498 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.301 19.3 m -59.35 -35.11 73.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.636 2.774 . . . . 0.0 113.532 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.8 -49.71 19.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.284 0.493 . . . . 0.0 110.064 165.799 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.266 4.9 t0 -64.24 -46.73 82.51 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 117.23 -1.367 . . . . 0.0 111.147 -162.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -46.52 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 123.866 1.793 . . . . 0.0 112.625 -173.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -49.68 70.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 111.317 -2.674 . . . . 0.0 110.163 -166.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -45.84 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 112.615 -2.084 . . . . 0.0 113.274 170.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -59.4 -38.06 79.59 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 121.493 1.951 . . . . 0.0 112.911 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.31 -35.34 79.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.84 62.21 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 129.315 3.046 . . . . 0.0 116.759 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.92 -51.65 31.14 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 127.95 2.5 . . . . 0.0 109.589 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.61 71.36 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 163.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.35 -58.43 9.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 128.832 3.111 . . . . 0.0 109.415 174.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.266 0.4 OUTLIER -69.75 -34.66 74.12 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.315 1.846 . . . . 0.0 113.177 176.192 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.663 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.0 ttt-85 -55.89 -48.7 75.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.625 -1.297 . . . . 0.0 110.508 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.14 74.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.35 -47.82 69.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 123.566 1.651 . . . . 0.0 109.624 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.5 mt -67.58 -32.17 72.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.248 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.1 -31.55 61.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 129.987 3.315 . . . . 0.0 110.969 175.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -25.63 64.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.827 0.851 . . . . 0.0 110.768 158.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.1 t -93.96 23.38 4.94 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -165.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.33 -45.92 68.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.42 1.088 . . . . 0.0 112.083 155.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.04 57.06 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.482 1.513 . . . . 0.0 113.43 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.25 -25.86 64.41 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.133 2.573 . . . . 0.0 114.54 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mp -118.11 -31.82 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.925 1.69 . . . . 0.0 112.228 -170.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.67 -33.81 56.57 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.035 2.534 . . . . 0.0 115.3 -164.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.25 -40.24 3.95 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.508 1.123 . . . . 0.0 112.861 167.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -48.74 79.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.766 1.226 . . . . 0.0 113.807 -174.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -29.13 69.53 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 119.832 -1.792 . . . . 0.0 112.945 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.08 53.2 Favored Glycine 0 C--O 1.22 -0.777 0 C-N-CA 124.587 1.089 . . . . 0.0 112.259 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -60.38 -43.23 96.79 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 128.009 2.524 . . . . 0.0 109.329 177.466 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 61' ' ' LEU . 34.8 mm -61.16 -54.66 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.754 1.222 . . . . 0.0 108.824 171.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.92 62.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.726 -164.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -107.62 12.38 27.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 113.525 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' A' ' 68' ' ' LEU . 32.0 p -66.59 -22.19 66.13 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 120.669 -1.269 . . . . 0.0 112.186 -168.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 54.43 -10.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 1 C-N-CA 133.12 4.568 . . . . 0.0 118.264 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.98 142.79 21.01 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 126.769 2.028 . . . . 0.0 107.646 -166.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.681 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.88 -35.89 69.9 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.489 177.482 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.98 -35.2 79.39 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 125.754 1.622 . . . . 0.0 111.551 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.02 -40.51 51.19 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 117.917 -1.491 . . . . 0.0 115.682 163.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 68' ' ' LEU . 10.3 tp -58.76 -44.17 90.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 120.752 2.276 . . . . 0.0 113.059 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 130.461 3.505 . . . . 0.0 114.917 164.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.09 -37.47 64.18 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.205 1.002 . . . . 0.0 111.918 167.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -37.25 82.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.259 1.024 . . . . 0.0 109.872 166.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.29 -40.1 86.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 126.063 1.745 . . . . 0.0 113.065 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.17 74.68 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.196 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -32.62 73.96 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.848 -1.157 . . . . 0.0 111.354 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.0 t80 -59.33 -56.49 21.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.817 1.647 . . . . 0.0 106.809 172.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mmpm? -59.61 -41.24 89.91 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.522 -0.736 . . . . 0.0 112.348 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -67.09 -35.58 80.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 129.918 3.287 . . . . 0.0 113.664 -175.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.43 -50.54 37.31 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 119.303 0.956 . . . . 0.0 113.139 160.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' TYR . 99.1 t . . . . . 0 C--N 1.323 -0.576 0 O-C-N 120.054 -1.654 . . . . 0.0 114.592 -167.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -62.61 -37.88 87.99 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 120.306 -1.496 . . . . 0.0 113.565 170.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 -43.51 77.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.609 1.564 . . . . 0.0 114.411 -165.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.579 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -60.78 -48.56 81.25 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 172.595 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -60.31 -44.36 95.5 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 122.035 0.922 . . . . 0.0 112.196 -158.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -68.46 -46.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.552 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -49.74 69.83 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.878 1.323 . . . . 0.0 108.512 -173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 53' ' ' ASP . 32.6 m -68.01 -45.93 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.747 0 CA-C-N 112.363 -2.199 . . . . 0.0 116.197 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -69.13 -37.43 78.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.046 1.748 . . . . 0.0 113.261 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.44 -27.2 61.3 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.786 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.27 -44.55 65.03 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 131.476 3.91 . . . . 0.0 115.276 163.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -68.05 -51.59 45.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 121.272 -0.892 . . . . 0.0 109.122 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.25 -30.83 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.199 -1.364 . . . . 0.0 113.965 165.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 -58.38 14.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 128.63 3.014 . . . . 0.0 109.33 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.273 19.0 tptt -69.94 -34.54 73.57 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 126.441 1.896 . . . . 0.0 114.944 172.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.9 ttt-85 -56.04 -48.38 76.11 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 120.146 1.339 . . . . 0.0 109.888 -168.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.33 -47.72 69.66 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 124.07 1.89 . . . . 0.0 110.073 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.681 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.1 mt -67.69 -32.09 72.51 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 111.72 -2.491 . . . . 0.0 115.971 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.8 mt-10 -75.25 -31.55 60.83 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.265 3.426 . . . . 0.0 112.026 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.52 -27.84 67.32 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.845 158.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -93.17 21.13 6.17 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.803 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 CA--C 1.55 0.961 0 C-N-CA 125.556 1.543 . . . . 0.0 113.375 -175.892 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 CA--C 1.552 1.044 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -74.6 -38.16 62.67 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.303 -1.498 . . . . 0.0 111.606 161.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.61 3.06 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.273 2.229 . . . . 0.0 114.12 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 17' ' ' ILE . 3.8 m -58.93 -28.42 66.22 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 128.431 2.693 . . . . 0.0 114.031 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -117.61 -1.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.536 0 C-N-CA 127.613 2.365 . . . . 0.0 111.148 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.14 -21.89 49.64 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.719 2.008 . . . . 0.0 113.742 -166.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -127.49 -59.47 1.22 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 111.599 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -57.17 -48.4 78.83 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -166.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.6 mmm -58.38 -37.46 75.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.743 1.217 . . . . 0.0 113.265 -174.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -39.01 56.59 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 123.424 0.535 . . . . 0.0 112.105 169.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.284 0.0 OUTLIER -61.23 -43.26 99.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.073 1.349 . . . . 0.0 109.847 -177.989 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 61' ' ' LEU . 4.7 pt -71.45 -45.63 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 169.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.91 65.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.53 0.604 . . . . 0.0 111.579 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -108.11 12.49 26.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.954 2.101 . . . . 0.0 113.571 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.551 ' SG ' HD11 ' A' ' 68' ' ' LEU . 28.6 p -69.12 -21.73 64.01 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 119.215 -2.178 . . . . 0.0 114.267 -168.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 60.71 -4.69 0.12 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 130.233 3.413 . . . . 0.0 116.436 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 p -153.91 137.03 15.57 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 125.986 1.714 . . . . 0.0 107.669 -169.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.53 -36.44 76.4 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 122.873 1.321 . . . . 0.0 109.614 175.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.27 -34.93 75.98 Favored 'General case' 0 N--CA 1.425 -1.675 0 C-N-CA 125.728 1.611 . . . . 0.0 111.784 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -42.09 46.24 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.453 163.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 68' ' ' LEU . 13.8 tp -58.76 -42.66 89.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 120.498 2.149 . . . . 0.0 113.531 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.43 -33.14 70.89 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 129.914 3.286 . . . . 0.0 114.55 167.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.45 -38.59 62.95 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.638 1.175 . . . . 0.0 111.481 168.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.1 mt -61.68 -37.2 83.21 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.766 1.226 . . . . 0.0 110.139 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.56 -45.63 78.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 124.975 1.31 . . . . 0.0 111.306 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.59 82.71 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.833 170.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.4 73.55 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.779 -1.201 . . . . 0.0 111.653 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.55 -56.41 22.3 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.905 1.682 . . . . 0.0 108.563 168.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -38.29 81.97 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.976 -1.077 . . . . 0.0 113.565 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -67.23 -41.2 86.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 129.154 2.982 . . . . 0.0 113.311 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -70.46 -38.37 74.44 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 171.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.327 -0.409 0 O-C-N 120.529 -1.357 . . . . 0.0 114.143 -166.489 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -53.45 -44.05 68.58 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.248 1.023 . . . . 0.0 109.867 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -59.49 -41.98 91.06 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.333 1.453 . . . . 0.0 114.278 -170.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.71 -51.14 52.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.822 1.646 . . . . 0.0 108.936 171.16 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.35 -45.87 91.95 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.432 1.493 . . . . 0.0 113.116 -161.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -46.36 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.945 0.898 . . . . 0.0 111.999 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -49.77 70.44 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.754 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -67.9 -46.08 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 0 CA-C-N 113.01 -1.904 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -69.3 -36.15 76.73 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 122.357 2.344 . . . . 0.0 111.737 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.27 -30.83 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.031 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -49.51 40.45 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 130.075 3.35 . . . . 0.0 116.366 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 HG21 ' A' ' 24' ' ' ILE . 3.1 tt -70.43 -51.65 27.88 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.571 3.548 . . . . 0.0 110.703 -178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -30.48 71.17 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 159.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.19 -57.35 10.27 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 127.906 2.67 . . . . 0.0 110.366 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -34.67 74.09 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 128.652 2.781 . . . . 0.0 113.216 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 3.9 ttt-85 -55.91 -48.8 75.01 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.983 0.913 . . . . 0.0 109.524 -174.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.22 75.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.35 -47.67 69.76 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.708 1.242 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.8 mt -67.61 -33.06 74.23 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 112.179 -2.282 . . . . 0.0 115.647 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.7 mt-10 -75.29 -32.34 60.98 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 130.183 3.393 . . . . 0.0 111.366 173.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -72.64 -11.26 60.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 111.163 159.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -113.02 21.58 15.25 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.121 1.368 . . . . 0.0 113.695 172.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.481 1.097 0 C-N-CA 125.686 1.594 . . . . 0.0 114.753 -167.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.98 -37.43 55.16 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.306 1.842 . . . . 0.0 114.205 157.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.21 66.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.152 1.781 . . . . 0.0 113.505 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -32.69 69.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.711 2.404 . . . . 0.0 113.666 -163.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 9.9 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 127.821 2.448 . . . . 0.0 110.193 -156.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.09 -21.5 39.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.506 1.922 . . . . 0.0 114.075 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.64 -57.95 0.99 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.575 1.15 . . . . 0.0 112.844 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.47 -44.34 84.76 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.953 0.797 . . . . 0.0 112.996 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.41 -33.57 69.8 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.894 -1.129 . . . . 0.0 112.093 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 -39.05 54.66 Favored Glycine 0 C--O 1.22 -0.756 0 C-N-CA 125.076 1.322 . . . . 0.0 111.457 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.261 0.1 OUTLIER -67.7 -43.4 80.17 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.121 1.368 . . . . 0.0 108.459 -174.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.85 -41.78 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 169.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -22.77 67.08 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.344 -0.847 . . . . 0.0 112.238 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 t -101.82 12.28 37.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.767 2.027 . . . . 0.0 113.08 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.0 p -70.65 -18.77 62.85 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 119.96 -1.712 . . . . 0.0 111.962 -163.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 56.34 -3.21 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.298 1 C-N-CA 131.899 4.08 . . . . 0.0 117.067 167.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -154.05 142.45 20.63 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 129.121 2.969 . . . . 0.0 106.373 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.652 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -71.84 -34.96 69.71 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 118.012 -1.475 . . . . 0.0 109.535 172.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.62 -35.08 78.41 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 126.109 1.764 . . . . 0.0 110.773 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -42.04 46.63 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 116.468 1.347 . . . . 0.0 116.468 163.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD11 ' HG ' ' A' ' 61' ' ' LEU . 10.9 tp -58.78 -41.43 86.63 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 119.936 1.868 . . . . 0.0 113.857 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.27 -33.37 73.43 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 129.623 3.169 . . . . 0.0 114.292 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.42 -39.13 62.81 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 111.513 169.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.6 -37.21 83.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.332 1.853 . . . . 0.0 108.956 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -67.98 -45.98 72.62 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.371 1.068 . . . . 0.0 111.574 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.05 77.33 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.001 171.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -32.94 74.43 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.536 -1.352 . . . . 0.0 112.219 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.55 -56.18 25.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.971 1.309 . . . . 0.0 109.571 167.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 mmpt? -59.89 -37.42 79.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.077 -1.015 . . . . 0.0 113.158 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -65.57 -42.13 92.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 129.485 3.114 . . . . 0.0 112.382 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -70.31 -45.9 65.32 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 126.966 2.106 . . . . 0.0 116.428 -162.879 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.305 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -53.67 -43.64 69.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.118 0.485 . . . . 0.0 112.263 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.355 1.062 . . . . 0.0 113.515 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.73 -47.49 84.98 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -62.02 -46.6 88.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.82 -167.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -46.57 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 119.557 -0.857 . . . . 0.0 113.299 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.92 69.05 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.153 0.978 . . . . 0.0 111.918 -171.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -46.1 82.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 113.956 -1.474 . . . . 0.0 113.285 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -68.32 -37.8 80.93 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.381 0.991 . . . . 0.0 110.638 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.43 -30.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.912 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.9 65.93 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 128.964 2.906 . . . . 0.0 115.872 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 24' ' ' ILE . 8.8 tt -67.43 -51.59 49.8 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.24 2.216 . . . . 0.0 109.67 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.65 71.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.837 0.855 . . . . 0.0 112.914 164.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.09 16.06 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 129.335 3.35 . . . . 0.0 109.513 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.251 5.5 tttt -69.81 -34.77 74.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 127.006 2.123 . . . . 0.0 113.369 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt180 -56.12 -49.39 74.03 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -173.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.28 74.0 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.577 -0.702 . . . . 0.0 112.612 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.29 -47.83 69.45 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 123.67 1.7 . . . . 0.0 109.839 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.58 -32.63 73.52 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 112.218 -2.265 . . . . 0.0 115.203 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.6 mt-10 -75.04 -32.03 61.46 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 110.71 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.37 -32.09 70.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.966 159.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -73.5 -36.86 65.82 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.482 1.171 1 C-N-CA 133.854 4.862 . . . . 0.0 117.292 -170.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.21 -34.84 59.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.375 1.47 . . . . 0.0 112.782 160.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -36.24 71.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.844 2.058 . . . . 0.0 114.142 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -58.86 -33.44 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 128.072 2.549 . . . . 0.0 113.089 -162.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.4 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.27 6.11 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 C-N-CA 127.425 2.29 . . . . 0.0 110.57 -154.544 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.4 -34.19 74.14 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.77 2.028 . . . . 0.0 113.963 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -138.7 -28.85 0.81 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.036 1.334 . . . . 0.0 114.259 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -47.34 82.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.665 1.986 . . . . 0.0 112.771 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG3' HG13 ' A' ' 17' ' ' ILE . 9.7 mmm -58.35 -33.15 69.23 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 119.905 -1.747 . . . . 0.0 112.019 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -39.04 54.85 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-O 119.47 -0.628 . . . . 0.0 111.717 169.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 1.1 ptmt -65.09 -43.31 92.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 125.004 1.321 . . . . 0.0 107.91 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -71.57 -42.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.191 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.82 66.88 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.124 -0.985 . . . . 0.0 112.218 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.18 12.5 21.84 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.115 2.166 . . . . 0.0 113.87 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.7 p -64.18 -17.64 63.71 Favored 'General case' 0 CA--C 1.554 1.129 0 O-C-N 120.632 -1.292 . . . . 0.0 114.13 -167.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 59.89 -7.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 131.226 3.81 . . . . 0.0 117.444 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -153.98 139.89 18.19 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 126.374 1.87 . . . . 0.0 107.169 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.64 -36.13 75.83 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.833 175.499 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.06 -34.79 78.34 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 126.002 1.721 . . . . 0.0 111.444 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.93 -41.81 47.45 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 116.606 1.402 . . . . 0.0 116.606 162.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.2 tp -58.79 -39.87 82.35 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 119.842 1.821 . . . . 0.0 113.534 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.96 -33.53 75.59 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 129.947 3.299 . . . . 0.0 114.559 168.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.28 -38.73 63.33 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.508 1.123 . . . . 0.0 111.405 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.78 -37.09 83.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.209 1.404 . . . . 0.0 109.957 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -66.91 -43.98 81.95 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 125.016 1.326 . . . . 0.0 112.028 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.5 79.23 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.363 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.5 73.76 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 120.352 -1.468 . . . . 0.0 112.343 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' O ' HG13 ' A' ' 44' ' ' VAL . 13.2 t80 -59.76 -56.32 23.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.289 1.836 . . . . 0.0 108.876 167.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.4 mmpt? -61.15 -36.29 79.39 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.295 -0.878 . . . . 0.0 113.3 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -66.82 -40.78 88.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 129.771 3.228 . . . . 0.0 113.125 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -70.18 -43.42 70.83 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 40' ' ' TYR 0.326 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-N 122.322 2.328 . . . . 0.0 114.418 -155.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.18 -43.17 74.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.808 0.813 . . . . 0.0 110.461 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -59.76 -32.59 70.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.432 1.493 . . . . 0.0 114.969 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.45 -51.41 14.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.646 0.736 . . . . 0.0 109.127 167.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.18 -46.69 76.48 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.839 -158.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.62 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 121.968 0.89 . . . . 0.0 111.658 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -49.96 68.76 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.99 -167.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -46.05 82.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.625 175.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.72 76.68 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 120.671 1.578 . . . . 0.0 110.88 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.43 -33.06 75.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.292 -0.963 . . . . 0.0 112.845 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -42.16 68.4 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 129.578 3.151 . . . . 0.0 115.655 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 24' ' ' ILE . 8.7 tt -66.45 -51.58 55.39 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.36 2.264 . . . . 0.0 109.749 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.66 68.76 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.25 1.42 . . . . 0.0 112.593 164.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.99 32.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 128.645 3.021 . . . . 0.0 109.006 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -34.61 74.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 126.204 1.802 . . . . 0.0 113.926 172.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.634 ' HG3' HD11 ' A' ' 30' ' ' LEU . 12.0 ttt-85 -56.7 -48.0 78.67 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.579 -1.326 . . . . 0.0 110.433 -171.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.3 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.12 -47.69 70.36 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.003 1.382 . . . . 0.0 109.615 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.659 ' CB ' HD12 ' A' ' 30' ' ' LEU . 13.9 mt -67.53 -33.05 74.27 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 111.953 -2.385 . . . . 0.0 115.485 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.09 -32.85 61.56 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.675 3.19 . . . . 0.0 111.974 174.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -17.58 63.64 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.158 158.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.0 t -105.08 22.67 14.91 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.2 1.0 . . . . 0.0 113.642 172.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 125.29 1.436 . . . . 0.0 112.643 -176.739 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.74 -26.54 54.73 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.622 1.569 . . . . 0.0 113.384 159.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.27 90.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.069 1.747 . . . . 0.0 113.224 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m -58.96 -33.25 70.42 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.838 -1.983 . . . . 0.0 112.863 -154.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.95 3.98 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 C-N-CA 127.133 2.173 . . . . 0.0 111.066 -153.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.87 -31.85 66.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.182 1.793 . . . . 0.0 113.77 -172.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.39 -33.04 0.75 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -48.77 78.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.46 2.304 . . . . 0.0 112.19 -176.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mmm -58.99 -32.77 69.98 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 119.899 -1.751 . . . . 0.0 112.393 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 -38.91 53.33 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 123.556 0.598 . . . . 0.0 111.838 168.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.295 0.4 OUTLIER -63.72 -43.33 96.85 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 120.873 -1.369 . . . . 0.0 109.835 -175.569 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 61' ' ' LEU . 1.9 pt -71.56 -54.75 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 166.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.47 -22.13 61.86 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.068 -1.02 . . . . 0.0 113.104 -172.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.5 t -111.23 12.49 21.76 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.942 2.097 . . . . 0.0 114.114 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.21 -33.02 51.08 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.52 -1.362 . . . . 0.0 114.494 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 76.03 -3.91 2.47 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 128.559 2.744 . . . . 0.0 114.035 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 p -147.48 137.95 23.27 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 125.346 1.458 . . . . 0.0 108.132 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -71.76 -34.94 69.9 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.441 1.591 . . . . 0.0 109.795 176.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.91 -35.39 72.98 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.015 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.68 51.19 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 165.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.509 HD22 HD12 ' A' ' 68' ' ' LEU . 9.3 tp -58.92 -41.75 88.05 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.827 -1.396 . . . . 0.0 112.413 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.0 -32.75 74.64 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 130.189 3.396 . . . . 0.0 114.799 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.68 -43.37 59.53 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.526 1.13 . . . . 0.0 110.521 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -37.15 82.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.324 1.85 . . . . 0.0 110.659 168.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.18 -43.13 99.09 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.941 1.246 . . . . 0.0 111.344 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.77 69.67 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.981 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -33.24 74.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.676 1.58 . . . . 0.0 111.652 -174.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -59.53 -56.28 23.91 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.794 2.038 . . . . 0.0 109.414 170.092 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.1 mmpt? -62.0 -35.8 79.61 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -66.96 -40.19 87.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.568 3.147 . . . . 0.0 112.69 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -70.2 -45.26 66.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.29 1.836 . . . . 0.0 115.116 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 40' ' ' TYR . 3.0 t . . . . . 0 C--N 1.33 -0.279 0 C-N-CA 128.157 2.583 . . . . 0.0 114.681 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 122.006 0.908 . . . . 0.0 112.824 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.56 -35.02 78.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -61.45 -44.74 96.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.755 2.022 . . . . 0.0 112.655 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -61.05 -47.2 87.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.36 -46.59 89.39 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.359 -163.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.72 78.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 172.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -49.94 68.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.638 1.209 . . . . 0.0 109.655 -172.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -45.92 82.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 C-N-CA 126.645 1.978 . . . . 0.0 113.718 173.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.39 -41.67 97.49 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.2 1.818 . . . . 0.0 112.544 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.75 0.786 . . . . 0.0 110.735 -171.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.83 69.39 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 129.74 3.216 . . . . 0.0 116.758 166.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 24' ' ' ILE 0.252 6.4 tt -70.66 -51.62 26.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 128.027 2.531 . . . . 0.0 110.495 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.58 69.35 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 159.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.19 31.74 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 127.004 2.24 . . . . 0.0 109.349 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 25.8 tptt -69.83 -34.62 73.9 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 127.312 2.245 . . . . 0.0 114.372 173.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -55.99 -47.48 77.62 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 119.972 -1.705 . . . . 0.0 109.609 -168.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.26 76.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.28 -47.77 69.66 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 123.328 1.537 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.707 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.263 15.4 mt -67.34 -32.25 73.07 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 112.205 -2.271 . . . . 0.0 114.719 -177.821 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.2 mt-10 -75.32 -31.64 60.69 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 129.907 3.283 . . . . 0.0 111.975 172.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.21 -11.04 60.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.69 1.196 . . . . 0.0 111.627 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -112.22 24.06 13.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.579 1.552 . . . . 0.0 113.106 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.55 0.946 0 C-N-CA 125.257 1.423 . . . . 0.0 114.01 -172.128 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.46 -41.07 48.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.663 1.585 . . . . 0.0 111.724 159.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.24 -36.27 41.01 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.007 1.723 . . . . 0.0 114.437 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.76 -32.12 68.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.931 2.492 . . . . 0.0 113.176 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.9 7.87 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 C-N-CA 126.572 1.949 . . . . 0.0 110.734 -155.125 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.91 -30.39 65.32 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.894 1.677 . . . . 0.0 114.419 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -135.22 -39.06 0.76 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 114.058 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.16 -48.88 77.6 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.428 1.891 . . . . 0.0 112.669 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' HG13 ' A' ' 17' ' ' ILE . 14.3 mmm -58.62 -30.19 67.06 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 119.968 -1.708 . . . . 0.0 112.19 176.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.89 -38.91 55.9 Favored Glycine 0 C--O 1.223 -0.591 0 C-N-CA 124.169 0.89 . . . . 0.0 112.01 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 1.4 ptmt -66.06 -43.2 88.11 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.493 1.517 . . . . 0.0 107.932 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 61' ' ' LEU . 8.3 pt -71.62 -41.75 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 118.598 2.814 . . . . 0.0 118.598 163.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.77 66.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.635 -1.916 . . . . 0.0 110.348 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -111.31 12.45 21.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.145 1.778 . . . . 0.0 113.481 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 33' ' ' LEU . 30.6 p -72.14 107.34 4.76 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -175.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 9.21 2.28 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 119.076 -2.265 . . . . 0.0 113.975 -164.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 p -154.14 141.08 19.25 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.92 1.688 . . . . 0.0 108.62 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -72.77 -35.08 67.37 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 123.358 1.552 . . . . 0.0 110.103 172.131 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.69 -35.48 74.57 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 125.759 1.624 . . . . 0.0 111.511 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.78 -42.19 47.06 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 164.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD22 HD12 ' A' ' 68' ' ' LEU . 13.1 tp -58.59 -39.68 81.09 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 120.121 1.96 . . . . 0.0 113.523 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.07 -33.1 75.0 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 130.039 3.335 . . . . 0.0 113.767 170.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.36 -38.71 63.13 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.952 1.301 . . . . 0.0 111.561 168.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.62 -37.35 83.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.065 1.746 . . . . 0.0 108.675 167.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -69.64 -39.85 76.88 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.465 1.506 . . . . 0.0 112.148 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.19 73.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 169.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -32.06 73.34 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.587 -1.32 . . . . 0.0 111.84 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.41 -56.52 21.01 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 126.229 1.812 . . . . 0.0 109.081 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.5 mmpt? -60.3 -37.77 81.57 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.081 -1.012 . . . . 0.0 113.564 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.1 -46.38 74.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 128.914 2.886 . . . . 0.0 112.777 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.33 -37.81 74.76 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.323 -0.552 0 O-C-N 119.182 -2.199 . . . . 0.0 114.975 -165.858 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.773 0.321 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.06 -38.49 82.98 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.298 -0.876 . . . . 0.0 112.562 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.9 m -59.45 -48.12 82.85 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 125.314 1.446 . . . . 0.0 113.259 -172.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.76 -47.2 87.39 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.75 -46.51 89.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.827 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.4 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.67 69.97 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.531 1.158 . . . . 0.0 111.899 -172.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.58 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 113.483 -1.689 . . . . 0.0 111.986 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.71 -42.06 95.53 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 119.805 1.184 . . . . 0.0 111.277 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.42 -29.86 70.09 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.591 -0.843 . . . . 0.0 111.364 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.34 -42.51 68.46 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 130.169 3.387 . . . . 0.0 116.459 166.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -70.59 -51.63 26.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.836 2.454 . . . . 0.0 109.588 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.67 68.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 160.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.32 -54.2 37.52 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 127.681 2.562 . . . . 0.0 109.905 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.71 -34.71 74.27 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 127.09 2.156 . . . . 0.0 111.941 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.642 ' HG3' HD11 ' A' ' 30' ' ' LEU . 4.4 ttt-85 -55.68 -46.91 77.52 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 120.671 -1.268 . . . . 0.0 110.071 -172.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -36.7 75.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.23 -47.95 69.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 123.591 1.663 . . . . 0.0 110.499 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.273 15.9 mt -67.53 -32.05 72.57 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 111.627 -2.533 . . . . 0.0 115.491 -177.665 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.6 mt-10 -75.25 -31.5 60.82 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 130.348 3.459 . . . . 0.0 111.918 173.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -28.71 68.92 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.832 158.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -92.61 17.82 9.62 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 124.101 0.875 . . . . 0.0 113.08 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.479 0.977 0 C-N-CA 125.549 1.539 . . . . 0.0 112.929 -175.19 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 112.404 -0.278 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -59.93 146.18 43.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.58 1.152 . . . . 0.0 113.976 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -154.04 169.06 24.41 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.708 1.603 . . . . 0.0 111.492 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -54.46 135.31 45.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.75 1.22 . . . . 0.0 112.61 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -79.13 -11.11 59.97 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp 63.44 -21.04 0.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.462 3.105 . . . . 0.0 117.703 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.67 17.69 5.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.318 1.847 . . . . 0.0 113.487 -173.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.77 166.15 25.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.988 1.715 . . . . 0.0 112.921 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.99 -31.24 50.56 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.43 -41.48 89.12 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.593 -1.317 . . . . 0.0 114.157 -145.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -67.15 -32.83 74.2 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.681 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.3 mp -74.63 -36.32 62.9 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.974 0.91 . . . . 0.0 112.482 171.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.78 -20.63 45.79 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.66 -0.65 . . . . 0.0 111.576 -170.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.79 -37.24 56.17 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.574 1.55 . . . . 0.0 113.152 159.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -51.13 -40.86 59.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.181 1.792 . . . . 0.0 113.551 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.97 -34.76 72.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.148 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -135.36 8.7 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 C-N-CA 126.958 2.103 . . . . 0.0 110.747 -155.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.91 -38.39 79.54 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.425 1.89 . . . . 0.0 113.653 -167.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.43 -27.42 1.56 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.504 1.521 . . . . 0.0 114.084 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -48.42 81.86 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 125.892 1.677 . . . . 0.0 112.769 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.5 mmm -58.44 -30.92 67.29 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 119.908 -1.745 . . . . 0.0 112.266 175.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.89 57.41 Favored Glycine 0 C--O 1.218 -0.9 0 C-N-CA 124.676 1.131 . . . . 0.0 112.112 168.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 1.1 ptmt -69.22 -43.2 74.56 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.974 1.709 . . . . 0.0 108.262 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 61' ' ' LEU . 3.4 pt -69.98 -41.79 79.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.326 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 166.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.81 -22.4 66.61 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.048 1.295 . . . . 0.0 111.938 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -104.64 12.38 33.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.676 1.99 . . . . 0.0 113.069 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.1 p -69.7 -21.57 63.49 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 119.783 -1.823 . . . . 0.0 113.977 -165.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 61.51 -5.93 0.13 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 130.176 3.39 . . . . 0.0 116.831 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -153.83 137.22 15.81 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.727 1.611 . . . . 0.0 107.238 -169.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.667 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.49 -36.55 76.62 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 117.819 -1.553 . . . . 0.0 109.549 175.137 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.6 -36.84 77.09 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 126.232 1.813 . . . . 0.0 111.466 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -41.7 48.12 Favored Glycine 0 C--O 1.214 -1.145 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 164.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HD12 ' A' ' 68' ' ' LEU . 13.9 tp -58.65 -39.2 79.92 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 119.89 1.845 . . . . 0.0 113.807 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.73 -32.76 74.58 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 129.918 3.287 . . . . 0.0 114.458 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.2 -38.8 63.49 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.756 1.223 . . . . 0.0 111.27 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.58 -37.09 82.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.488 1.515 . . . . 0.0 109.195 167.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.95 -39.42 76.06 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 125.269 1.427 . . . . 0.0 112.228 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.38 78.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.587 170.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -33.84 76.36 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.588 1.085 . . . . 0.0 112.98 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.8 t80 -59.59 -50.39 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.935 2.094 . . . . 0.0 108.437 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.3 mmpt? -69.35 -34.66 74.92 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -62.66 -43.76 97.99 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.811 2.844 . . . . 0.0 112.461 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -69.14 -47.91 63.82 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.583 1.553 . . . . 0.0 114.763 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 40' ' ' TYR . 19.3 m -80.73 -2.72 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 120.142 -1.599 . . . . 0.0 114.775 -149.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 -31.43 31.26 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.784 2.034 . . . . 0.0 115.361 161.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -74.24 -13.43 60.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 130.699 3.6 . . . . 0.0 112.274 175.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -144.21 -143.81 0.15 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.908 2.483 . . . . 0.0 109.143 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.58 -40.25 1.42 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -165.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 53' ' ' ASP 0.409 0.0 OUTLIER 53.84 2.97 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 129.932 3.293 . . . . 0.0 117.846 178.96 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER 39.71 -165.17 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.861 2.064 . . . . 0.0 113.841 -178.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -62.76 -45.3 93.34 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 117.336 -3.353 . . . . 0.0 115.998 154.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -59.7 -48.55 81.24 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.42 1.088 . . . . 0.0 113.272 -161.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' HB3' HD22 ' A' ' 49' ' ' LEU . 42.0 t0 -60.85 -44.62 96.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.12 -46.53 77.24 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.102 -163.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.5 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -49.87 68.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.73 1.252 . . . . 0.0 112.055 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -45.97 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 113.059 -1.882 . . . . 0.0 112.835 175.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -65.03 -42.25 94.53 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 119.958 1.254 . . . . 0.0 110.714 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.0 -29.93 70.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.461 -173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.63 -44.68 63.93 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 129.538 3.135 . . . . 0.0 116.614 167.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 HG21 ' A' ' 24' ' ' ILE . 6.1 tt -69.36 -51.65 34.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.426 2.29 . . . . 0.0 110.016 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.65 70.64 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 162.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.91 -55.58 25.06 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 128.157 2.789 . . . . 0.0 109.985 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -69.79 -34.74 74.13 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 127.063 2.145 . . . . 0.0 112.868 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.649 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.6 ttt-85 -56.5 -48.06 77.96 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.808 -1.183 . . . . 0.0 109.752 -172.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.18 75.03 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.25 -47.66 70.07 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 123.483 1.611 . . . . 0.0 110.096 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.667 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.4 mt -67.61 -31.84 72.14 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 111.951 -2.386 . . . . 0.0 115.502 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.32 -31.65 60.68 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 130.232 3.413 . . . . 0.0 111.579 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -66.26 -28.56 68.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.777 157.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -93.54 23.77 4.42 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.66 -11.45 2.14 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 127.792 2.437 . . . . 0.0 115.394 -173.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.91 52.48 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.041 1 C-N-CA 131.85 4.06 . . . . 0.0 115.509 171.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -103.79 172.44 6.81 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.416 2.686 . . . . 0.0 113.544 -171.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.8 t -49.26 139.69 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.761 1.624 . . . . 0.0 114.04 -172.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 60.18 -35.56 0.08 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 130.831 3.652 . . . . 0.0 117.546 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.76 -26.25 68.55 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.531 1.132 . . . . 0.0 111.526 163.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.2 p -148.05 11.48 0.94 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.89 2.076 . . . . 0.0 114.093 -175.07 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.966 0 N-CA-C 112.339 -0.304 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -133.42 4.7 3.7 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -170.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -69.26 -23.41 63.84 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.7 -1.25 . . . . 0.0 112.98 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.1 mmt 56.74 -169.33 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.648 1.979 . . . . 0.0 114.012 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.08 -6.93 14.68 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -32.89 110.83 0.09 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.488 2.315 . . . . 0.0 114.865 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 63.48 4.37 1.74 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 127.767 2.427 . . . . 0.0 116.787 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.46 149.89 25.08 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.476 1.035 . . . . 0.0 113.314 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -63.22 -31.11 72.18 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.171 2.188 . . . . 0.0 116.105 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -70.78 -18.53 62.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.499 1.92 . . . . 0.0 113.944 -159.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -32.72 68.85 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.831 0.452 . . . . 0.0 110.926 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -22.25 58.77 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -102.57 -22.95 13.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 126.337 1.855 . . . . 0.0 112.388 -169.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.56 -25.83 54.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.343 1.457 . . . . 0.0 114.142 159.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.05 79.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.618 1.967 . . . . 0.0 113.755 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.92 -30.91 68.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.66 2.384 . . . . 0.0 113.71 -160.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.252 0.4 OUTLIER -134.98 13.7 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.928 2.491 . . . . 0.0 110.469 -156.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.51 -17.91 26.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.03 1.732 . . . . 0.0 114.532 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -130.45 -59.6 1.02 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.731 1.213 . . . . 0.0 113.659 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -57.38 -46.54 83.31 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.509 1.124 . . . . 0.0 112.287 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.6 mmm -58.48 -35.92 72.95 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.032 1.333 . . . . 0.0 112.504 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.8 57.04 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 123.861 0.743 . . . . 0.0 111.322 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 0.1 OUTLIER -62.0 -43.26 99.22 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 124.686 1.194 . . . . 0.0 109.518 -178.285 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' LEU . 10.1 pt -71.44 -42.03 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 167.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.96 -22.17 66.81 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.09 0.859 . . . . 0.0 110.624 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.29 12.5 21.68 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.193 2.197 . . . . 0.0 114.3 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 68' ' ' LEU . 27.8 p -65.39 -19.15 65.82 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 120.238 -1.539 . . . . 0.0 113.995 -169.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 58.97 -6.91 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 131.855 4.062 . . . . 0.0 116.856 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -153.88 139.5 17.88 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 125.855 1.662 . . . . 0.0 107.41 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.04 -35.61 74.43 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 123.352 1.548 . . . . 0.0 109.727 177.393 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.64 -35.02 76.72 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 126.214 1.806 . . . . 0.0 111.271 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.9 -42.56 44.91 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 118.518 -1.156 . . . . 0.0 115.981 163.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 61' ' ' LEU . 12.1 tp -58.66 -39.32 80.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 120.37 2.085 . . . . 0.0 113.76 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.52 -33.09 74.81 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 129.533 3.133 . . . . 0.0 114.172 169.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.41 -38.68 63.0 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.67 1.188 . . . . 0.0 111.454 168.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.62 -37.21 83.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.483 1.513 . . . . 0.0 110.013 167.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.13 -44.71 79.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.396 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.74 77.63 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.345 170.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.5 73.78 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.496 -1.377 . . . . 0.0 112.291 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.7 -56.14 25.57 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.619 1.567 . . . . 0.0 109.503 167.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.1 mmpt? -59.88 -36.17 76.36 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.946 -1.096 . . . . 0.0 113.67 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.9 -36.89 83.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 129.573 3.149 . . . . 0.0 113.126 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -70.49 -48.52 55.33 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 156.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.93 -13.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 119.594 -1.941 . . . . 0.0 115.357 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -68.1 -29.87 68.91 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 163.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.79 -16.08 17.43 Favored 'General case' 0 N--CA 1.482 1.168 1 C-N-CA 132.994 4.517 . . . . 0.0 113.154 178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 t 48.54 114.45 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 N-CA-C 119.289 3.07 . . . . 0.0 119.289 152.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -126.9 12.24 7.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.748 140.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 54' ' ' ASP . 3.2 tm? -67.02 85.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 127.652 2.381 . . . . 0.0 111.185 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -52.64 168.94 0.1 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.214 154.289 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.92 -39.62 92.66 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.462 -0.774 . . . . 0.0 111.959 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.4 m -59.49 -48.45 81.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.056 1.742 . . . . 0.0 113.426 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.85 -45.34 94.88 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' HB2' HD11 ' A' ' 49' ' ' LEU . 48.6 t0 -62.05 -46.47 88.99 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 124.083 0.864 . . . . 0.0 111.327 -166.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -46.56 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 122.442 1.115 . . . . 0.0 112.308 -177.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.83 69.35 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.897 -1.501 . . . . 0.0 112.513 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -46.09 82.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 113.746 -1.57 . . . . 0.0 113.523 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.95 -37.29 78.75 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 119.686 1.13 . . . . 0.0 110.57 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.5 -30.0 68.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 112.048 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.75 67.86 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.528 3.131 . . . . 0.0 115.681 167.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 24' ' ' ILE . 4.7 tt -70.6 -51.68 26.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.319 2.248 . . . . 0.0 110.081 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.7 69.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 161.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.4 35.13 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 128.253 2.835 . . . . 0.0 110.159 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -69.67 -34.73 74.38 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 127.269 2.228 . . . . 0.0 112.474 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 9.5 ttt-85 -56.07 -49.47 73.7 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 120.973 -1.08 . . . . 0.0 109.972 -173.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.14 71.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.16 -47.74 70.12 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.302 1.525 . . . . 0.0 110.087 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.661 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.254 16.4 mt -67.49 -32.54 73.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.435 -178.773 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.0 mt-10 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 129.463 3.105 . . . . 0.0 110.945 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.06 -31.96 69.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.004 159.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -74.51 -33.1 62.71 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.095 1.426 . . . . 0.0 114.206 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 t70 42.15 18.59 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 131.435 3.894 . . . . 0.0 114.593 -167.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -69.53 147.03 51.37 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.575 1.15 . . . . 0.0 113.615 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -138.08 160.37 39.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.043 2.137 . . . . 0.0 112.095 -164.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.05 3.61 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -160.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -152.78 -28.61 0.15 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -156.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.7 -34.77 65.0 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.959 0.8 . . . . 0.0 110.629 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -143.81 7.88 1.47 Allowed 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.257 1.455 0 C-N-CA 124.56 1.144 . . . . 0.0 112.997 -174.715 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 62.43 -21.93 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -137.14 3.63 2.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.99 1.316 . . . . 0.0 114.404 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -83.89 158.17 21.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.292 1.037 . . . . 0.0 113.298 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.91 -25.14 66.54 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.93 -14.25 32.76 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.078 1.351 . . . . 0.0 113.694 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -63.22 -12.8 31.31 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.389 1.475 . . . . 0.0 114.239 170.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -135.88 154.61 51.1 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.619 1.567 . . . . 0.0 112.236 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -72.15 -31.42 65.95 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.246 1.418 . . . . 0.0 114.385 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -65.01 -17.29 64.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.263 1.825 . . . . 0.0 114.983 -165.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -32.78 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.292 0.091 . . . . 0.0 111.054 172.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.21 -22.2 45.23 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -93.4 -22.35 18.97 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 126.235 1.814 . . . . 0.0 113.25 -175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -76.67 -25.82 54.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.718 1.207 . . . . 0.0 113.634 157.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.18 94.25 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.541 1.536 . . . . 0.0 113.57 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 22.0 m -59.26 -33.02 70.54 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 111.809 -2.45 . . . . 0.0 113.351 -153.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -127.12 2.81 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 127.618 2.367 . . . . 0.0 111.164 -157.105 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.56 -30.37 65.8 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.0 1.72 . . . . 0.0 113.486 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.3 -41.35 0.89 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.227 1.411 . . . . 0.0 114.255 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -48.97 77.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.185 2.194 . . . . 0.0 112.924 -174.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.403 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.9 mmm -58.51 -30.53 67.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 119.855 -1.778 . . . . 0.0 112.353 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.94 54.17 Favored Glycine 0 C--O 1.221 -0.712 0 C-N-CA 125.077 1.322 . . . . 0.0 111.146 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.281 0.9 OUTLIER -65.74 -43.18 89.74 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.952 1.701 . . . . 0.0 107.914 -173.624 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 HD12 ' A' ' 61' ' ' LEU . 5.1 pt -71.49 -42.52 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 116.982 2.216 . . . . 0.0 116.982 165.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.24 66.76 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.936 1.243 . . . . 0.0 111.237 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.0 12.44 22.09 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.39 2.276 . . . . 0.0 113.901 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.7 p -63.44 -20.04 65.23 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.57 -5.97 0.05 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 131.246 3.818 . . . . 0.0 117.112 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.92 139.29 17.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.147 1.779 . . . . 0.0 107.533 -168.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.66 -34.49 72.08 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 123.534 1.635 . . . . 0.0 109.699 176.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -61.8 -36.15 80.28 Favored 'General case' 0 N--CA 1.421 -1.91 0 C-N-CA 126.862 2.065 . . . . 0.0 110.923 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.21 46.48 Favored Glycine 0 C--O 1.212 -1.242 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 163.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD22 HD12 ' A' ' 68' ' ' LEU . 13.5 tp -58.81 -38.03 77.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 120.178 1.989 . . . . 0.0 113.604 176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.58 -33.04 74.97 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 129.721 3.208 . . . . 0.0 113.9 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.36 -38.91 63.08 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.588 1.155 . . . . 0.0 111.519 169.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.6 -38.46 87.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.519 1.528 . . . . 0.0 109.652 167.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -65.86 -43.69 87.68 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.184 1.394 . . . . 0.0 112.033 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.7 77.39 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.113 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.24 74.91 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.59 -1.319 . . . . 0.0 111.54 -175.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -59.6 -56.26 24.16 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.354 1.862 . . . . 0.0 109.968 169.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.2 mmpt? -60.59 -37.54 81.71 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 56.2 mmtt -67.1 -42.04 85.25 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.004 2.921 . . . . 0.0 112.085 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -70.37 -44.99 66.95 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' TYR . 4.5 t -48.35 -43.99 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 127.064 2.145 . . . . 0.0 113.686 -171.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 37.4 pttt -69.42 -33.89 73.64 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.155 1.782 . . . . 0.0 114.054 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.8 -14.02 43.42 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.41 3.084 . . . . 0.0 111.104 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -150.37 -133.04 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.61 172.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -137.12 56.64 1.78 Allowed 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 125.306 1.442 . . . . 0.0 111.794 -158.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.43 91.78 0.08 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 123.194 1.473 . . . . 0.0 111.2 166.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -48.4 167.91 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.738 1.615 . . . . 0.0 112.778 162.421 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.21 -36.44 81.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -62.92 -44.57 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.9 1.68 . . . . 0.0 113.181 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 23.8 t0 -61.39 -47.22 86.81 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.091 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.4 -46.59 89.45 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.408 -162.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -46.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 173.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -49.67 69.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 123.003 1.382 . . . . 0.0 110.401 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -46.02 82.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 112.163 -2.289 . . . . 0.0 114.279 172.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.95 1.705 . . . . 0.0 112.07 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.07 -28.3 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.026 0.917 . . . . 0.0 111.151 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.5 65.35 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 129.299 3.039 . . . . 0.0 116.619 166.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 24' ' ' ILE . 6.3 tt -70.03 -51.54 31.29 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 127.826 2.45 . . . . 0.0 109.789 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.65 69.71 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 161.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.68 -56.29 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 128.202 2.81 . . . . 0.0 110.203 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -69.83 -34.64 73.93 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.245 2.218 . . . . 0.0 113.221 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt-85 -55.95 -48.46 75.72 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.608 -1.308 . . . . 0.0 109.867 -172.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.17 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.1 -47.67 70.49 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 122.978 1.37 . . . . 0.0 109.918 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.1 mt -67.53 -32.56 73.43 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 112.306 -2.225 . . . . 0.0 115.126 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.4 mt-10 -75.12 -32.06 61.29 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 130.124 3.37 . . . . 0.0 111.657 174.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.11 -13.09 61.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.336 1.454 . . . . 0.0 111.9 158.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.9 t -116.1 33.84 5.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.629 1.172 . . . . 0.0 113.886 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -51.65 -16.09 0.58 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 128.391 2.677 . . . . 0.0 116.305 -167.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -39.31 123.37 1.41 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.517 2.727 . . . . 0.0 113.654 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -95.76 120.61 36.32 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -155.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.8 t 54.96 -55.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 129.415 3.086 . . . . 0.0 115.294 -160.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.45 -27.96 0.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 128.266 2.626 . . . . 0.0 113.961 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -163.97 -56.93 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.136 1.374 . . . . 0.0 112.545 -173.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 p -165.0 17.0 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -159.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.606 1.562 . . . . 0.0 114.148 -173.36 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -60.28 -19.97 57.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -73.75 0.75 12.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.82 1.648 . . . . 0.0 115.233 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.4 mtt 62.0 -178.8 0.13 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.521 1.928 . . . . 0.0 114.389 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.6 mp -63.61 -39.68 94.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.281 1.033 . . . . 0.0 113.155 -164.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 tp -150.93 -32.56 0.16 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.233 1.813 . . . . 0.0 113.112 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -144.8 153.87 42.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.827 1.651 . . . . 0.0 112.502 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -62.81 -15.88 55.88 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.96 -31.31 58.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.714 1.606 . . . . 0.0 114.235 -174.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -73.75 -19.23 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -151.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -32.93 69.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.006 173.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.36 -27.31 34.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 50' ' ' LYS . 3.4 m-85 -73.42 -24.34 60.25 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 124.628 1.171 . . . . 0.0 109.056 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -77.06 -45.88 25.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.559 1.544 . . . . 0.0 113.422 159.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.5 12.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 126.57 1.948 . . . . 0.0 114.656 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -28.08 65.63 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.543 2.737 . . . . 0.0 111.894 -174.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.59 13.22 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 129.004 2.922 . . . . 0.0 111.13 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -99.89 -6.15 27.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.47 1.908 . . . . 0.0 114.48 -175.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.71 -63.57 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.398 1.479 . . . . 0.0 112.791 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -59.45 -44.19 93.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.728 1.211 . . . . 0.0 112.866 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.1 mmm -58.39 -35.29 71.79 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.626 -1.296 . . . . 0.0 113.048 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -38.93 55.01 Favored Glycine 0 C--O 1.216 -0.98 0 C-N-CA 124.097 0.856 . . . . 0.0 111.546 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.258 0.1 OUTLIER -65.03 -43.29 92.88 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.808 1.304 . . . . 0.0 109.118 -175.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 61' ' ' LEU . 1.1 pt -71.33 -41.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 171.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.24 67.49 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.812 -1.18 . . . . 0.0 112.392 174.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -102.35 12.11 37.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.794 2.038 . . . . 0.0 113.149 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.8 p -70.79 -19.4 62.69 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 119.562 -1.961 . . . . 0.0 114.117 -164.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.12 -6.11 0.19 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 130.311 3.445 . . . . 0.0 116.247 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.89 138.28 16.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 125.975 1.71 . . . . 0.0 107.409 -170.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -70.0 -35.6 74.52 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.337 -1.345 . . . . 0.0 109.317 175.122 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -62.35 -35.47 79.21 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 125.496 1.518 . . . . 0.0 111.459 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -40.82 50.7 Favored Glycine 0 C--O 1.212 -1.271 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 164.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.5 tp -58.68 -40.6 84.03 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 120.241 2.021 . . . . 0.0 113.864 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.17 -33.36 74.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 130.146 3.378 . . . . 0.0 114.411 168.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.3 -40.0 62.55 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.661 1.184 . . . . 0.0 111.427 168.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.58 -37.11 82.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.6 1.56 . . . . 0.0 109.402 168.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.07 -44.94 78.83 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.356 1.062 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.44 70.02 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.278 171.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -32.19 73.36 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 120.805 -1.184 . . . . 0.0 112.766 -176.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -59.31 -56.39 22.64 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.605 1.962 . . . . 0.0 109.37 166.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.5 mmpt? -61.6 -35.8 78.89 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.018 -1.051 . . . . 0.0 113.593 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 54.1 mmtt -66.47 -35.15 79.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.955 3.302 . . . . 0.0 113.029 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -69.69 -44.83 69.64 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 125.001 1.32 . . . . 0.0 113.348 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.66 -17.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -80.59 -28.87 37.0 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.949 1.7 . . . . 0.0 115.389 167.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -86.64 -12.08 49.49 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 130.937 3.695 . . . . 0.0 111.554 -173.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 t -153.84 -152.02 0.39 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.958 0.903 . . . . 0.0 112.497 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -131.21 40.4 3.45 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.394 2.278 . . . . 0.0 112.717 -152.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD22 ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -48.08 137.92 9.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 123.682 1.706 . . . . 0.0 109.376 159.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -116.6 172.98 6.87 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.034 178.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.47 -40.27 65.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.561 1.172 . . . . 0.0 109.979 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.7 m -60.09 -42.79 95.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' CG ' HD22 ' A' ' 49' ' ' LEU 0.254 0.0 OUTLIER -65.83 -50.47 64.51 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.629 2.013 . . . . 0.0 109.044 165.103 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.1 -46.55 77.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -154.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -46.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 122.808 1.289 . . . . 0.0 111.913 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -49.57 70.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.395 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -45.8 83.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 113.31 -1.768 . . . . 0.0 112.559 176.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -33.43 74.84 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 121.165 1.802 . . . . 0.0 111.574 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.42 -33.4 75.62 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.86 68.71 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 130.347 3.459 . . . . 0.0 115.182 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 24' ' ' ILE . 6.5 tt -67.82 -51.51 47.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.923 2.089 . . . . 0.0 110.162 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.28 -30.6 68.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.365 162.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.44 36.72 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 128.066 2.746 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -69.7 -34.8 74.4 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 126.115 1.766 . . . . 0.0 114.1 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.9 ttt-85 -55.8 -47.52 76.99 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.469 -1.394 . . . . 0.0 109.973 -170.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.2 76.22 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.23 -47.75 69.85 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.02 1.391 . . . . 0.0 110.118 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.3 mt -67.66 -31.9 72.2 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 111.855 -2.429 . . . . 0.0 115.515 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 129.741 3.216 . . . . 0.0 111.945 173.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -20.07 63.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.32 1.048 . . . . 0.0 110.974 158.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -104.37 24.64 11.26 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.7 -25.57 18.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.025 1.73 . . . . 0.0 114.412 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -94.3 84.62 4.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.909 1.684 . . . . 0.0 111.096 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -81.63 110.77 17.3 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.966 1.707 . . . . 0.0 111.664 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.3 t 59.6 -53.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 129.497 3.119 . . . . 0.0 115.483 -168.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.56 -28.98 0.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 128.774 2.829 . . . . 0.0 113.487 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -165.39 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.014 1.725 . . . . 0.0 112.936 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 p -169.63 26.88 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.687 1.195 . . . . 0.0 113.784 -160.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.061 1.344 . . . . 0.0 112.7 -164.196 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -136.64 12.06 3.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.609 1.163 . . . . 0.0 114.116 -170.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -151.04 138.3 19.34 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.266 1.426 . . . . 0.0 111.968 -177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt 55.95 169.05 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.428 2.291 . . . . 0.0 116.086 -173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.08 -17.2 55.6 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.63 1.172 . . . . 0.0 113.054 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt 61.53 2.98 0.74 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.874 2.47 . . . . 0.0 115.6 -174.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -156.93 115.28 3.27 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.069 2.148 . . . . 0.0 109.711 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -60.45 -30.9 69.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.67 -31.09 65.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.508 1.923 . . . . 0.0 115.286 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -74.41 -10.15 59.29 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 115.367 1.618 . . . . 0.0 115.367 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -58.44 -33.3 69.56 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.806 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.488 0.0 OUTLIER -81.63 -22.11 37.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.75 -24.91 22.54 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.726 2.41 . . . . 0.0 114.02 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.95 -37.37 55.42 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.162 1.785 . . . . 0.0 112.631 164.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.41 1.54 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.023 2.529 . . . . 0.0 115.243 172.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -59.04 -32.46 69.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.129 2.572 . . . . 0.0 113.133 -169.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -130.12 5.96 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 127.992 2.517 . . . . 0.0 110.527 -157.311 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.02 -29.51 65.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.27 1.828 . . . . 0.0 114.085 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.29 -38.69 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.239 1.416 . . . . 0.0 114.128 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -47.01 83.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.34 2.256 . . . . 0.0 113.738 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.414 ' HG3' HG13 ' A' ' 17' ' ' ILE . 11.2 mmm -58.44 -31.13 67.47 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 119.687 -1.883 . . . . 0.0 111.887 174.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.16 -39.01 54.05 Favored Glycine 0 C--O 1.224 -0.503 0 C-N-CA 125.094 1.33 . . . . 0.0 112.27 169.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 1.0 OUTLIER -67.62 -43.18 81.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 125.664 1.586 . . . . 0.0 107.754 -173.64 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.54 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.77 -41.51 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 168.023 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.19 66.95 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.518 -1.364 . . . . 0.0 112.106 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -102.83 12.3 36.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.798 2.439 . . . . 0.0 112.867 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.2 p -69.64 -22.15 63.49 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 120.091 -1.631 . . . . 0.0 113.336 -165.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 61.13 -6.77 0.1 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 131.197 3.799 . . . . 0.0 116.899 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 p -154.01 139.23 17.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 126.131 1.772 . . . . 0.0 107.501 -169.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.24 -36.48 74.52 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.43 -1.708 . . . . 0.0 109.351 175.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -60.94 -37.14 81.33 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 126.196 1.798 . . . . 0.0 111.368 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -40.87 51.05 Favored Glycine 0 C--O 1.213 -1.159 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 164.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD22 HD12 ' A' ' 68' ' ' LEU . 12.6 tp -58.77 -40.32 83.58 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 120.574 2.187 . . . . 0.0 113.422 176.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 129.877 3.271 . . . . 0.0 114.075 169.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.9 -39.33 63.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.583 1.153 . . . . 0.0 111.712 167.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.64 -37.3 83.51 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.113 1.365 . . . . 0.0 109.322 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -68.22 -42.16 80.19 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 125.204 1.401 . . . . 0.0 112.227 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.58 74.83 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.913 169.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -32.38 73.62 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 119.74 1.155 . . . . 0.0 111.546 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.54 -56.36 22.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.052 2.141 . . . . 0.0 108.318 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mmpm? -62.05 -38.51 89.0 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -67.06 -49.27 65.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 128.803 2.841 . . . . 0.0 112.645 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 47' ' ' THR . 35.3 ttt180 -70.37 -40.68 73.85 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.33 -30.22 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 O-C-N 119.255 -2.153 . . . . 0.0 116.203 -163.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -67.41 -34.03 76.4 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 169.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.1 -27.65 61.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.388 3.475 . . . . 0.0 112.579 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 43' ' ' ARG . 6.5 t -129.46 -153.63 0.58 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 111.937 -2.392 . . . . 0.0 112.333 -157.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -129.14 27.28 5.39 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.187 1.795 . . . . 0.0 114.45 -161.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.42 122.9 7.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.933 1.349 . . . . 0.0 109.693 160.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -107.29 179.93 4.11 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 129.217 3.007 . . . . 0.0 108.57 174.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -54.35 -41.59 69.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.26 -1.525 . . . . 0.0 111.902 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -59.79 -48.46 81.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.29 -46.08 90.36 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.677 1.58 . . . . 0.0 109.595 174.556 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -46.44 85.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.223 0.952 . . . . 0.0 111.909 -160.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.54 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.72 70.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 122.635 1.207 . . . . 0.0 111.795 -172.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -45.62 83.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.929 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -64.38 -42.08 96.34 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.108 0.867 . . . . 0.0 111.152 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.25 -29.39 69.62 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.42 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.24 67.19 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 129.435 3.094 . . . . 0.0 116.95 166.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.43 -51.75 33.34 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 127.649 2.38 . . . . 0.0 109.861 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.53 69.03 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.7 -55.43 28.9 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 128.211 2.815 . . . . 0.0 109.803 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.256 5.0 tptt -69.84 -34.58 73.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 126.69 1.996 . . . . 0.0 112.785 175.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 30' ' ' LEU . 7.5 ttt-85 -55.9 -48.11 76.21 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 120.744 -1.223 . . . . 0.0 110.046 -173.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.18 75.29 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -67.27 -47.66 70.02 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 123.303 1.525 . . . . 0.0 110.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.51 -32.38 73.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 112.042 -2.344 . . . . 0.0 115.425 -177.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.14 -31.78 61.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 130.114 3.366 . . . . 0.0 111.817 173.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -19.73 63.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.125 158.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -103.78 25.58 9.65 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.086 0.954 . . . . 0.0 113.548 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.78 -22.55 24.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.659 1.584 . . . . 0.0 114.471 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -126.51 129.97 49.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.46 2.704 . . . . 0.0 110.051 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.12 156.1 38.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -148.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.16 143.0 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.022 1.729 . . . . 0.0 112.506 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 64.0 -37.59 0.19 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 130.261 3.424 . . . . 0.0 117.116 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.73 -23.64 67.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.911 0.885 . . . . 0.0 110.738 166.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -141.79 50.38 1.56 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.07 1.748 . . . . 0.0 112.937 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.0 p90 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.099 1.36 . . . . 0.0 114.222 177.893 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -136.11 14.86 3.29 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.752 1.221 . . . . 0.0 114.033 -172.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -62.44 155.5 25.28 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.702 1.201 . . . . 0.0 114.011 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -63.49 160.65 15.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.774 1.63 . . . . 0.0 113.762 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.67 -15.15 63.43 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.649 1.58 . . . . 0.0 114.89 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.27 -1.71 1.17 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.83 10.35 36.53 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.593 1.557 . . . . 0.0 113.308 175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 66.57 -19.26 0.11 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.642 2.777 . . . . 0.0 117.994 165.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -77.89 -31.29 51.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.639 1.176 . . . . 0.0 114.064 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -57.89 -51.1 70.99 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -161.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -65.23 -33.02 75.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.522 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.74 -30.57 69.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.114 0.959 . . . . 0.0 112.993 174.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -83.13 -19.32 36.92 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.407 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.88 -43.28 36.47 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.387 1.475 . . . . 0.0 113.309 156.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.22 -34.57 57.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.642 1.977 . . . . 0.0 113.968 -172.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m -58.95 -31.44 68.7 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.677 2.791 . . . . 0.0 113.297 -170.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.258 0.4 OUTLIER -128.07 16.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 C-N-CA 127.781 2.432 . . . . 0.0 110.468 -161.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -86.44 -24.33 25.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.995 1.718 . . . . 0.0 114.611 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -134.13 -54.2 0.86 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -57.26 -40.77 78.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.815 1.188 . . . . 0.0 112.3 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 mmm -58.63 -36.67 74.45 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.666 1.986 . . . . 0.0 113.313 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.27 -39.02 53.14 Favored Glycine 0 C--O 1.224 -0.501 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -56.14 -48.2 76.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.961 2.104 . . . . 0.0 108.528 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.7 HG21 HD12 ' A' ' 61' ' ' LEU . 9.4 pt -71.69 -46.24 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -21.86 66.51 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.9 t -110.48 12.23 22.95 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 126.969 2.108 . . . . 0.0 113.413 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 68' ' ' LEU . 22.5 p -68.86 -22.07 64.23 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.506 -1.996 . . . . 0.0 113.846 -167.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.63 -3.74 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 130.28 3.432 . . . . 0.0 116.111 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 p -153.88 140.41 18.82 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 126.396 1.879 . . . . 0.0 107.376 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -71.48 -36.25 71.09 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 117.581 -1.647 . . . . 0.0 109.767 175.167 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.44 -36.29 75.65 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 126.27 1.828 . . . . 0.0 111.028 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.17 -41.57 46.58 Favored Glycine 0 C--O 1.214 -1.111 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 165.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 68' ' ' LEU . 11.3 tp -58.8 -38.51 78.76 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.141 1.971 . . . . 0.0 113.851 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 -32.69 74.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 129.769 3.227 . . . . 0.0 114.031 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.48 -41.8 65.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.325 1.05 . . . . 0.0 110.02 168.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.69 -37.19 83.21 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.626 1.57 . . . . 0.0 109.7 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -67.49 -45.07 76.93 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.403 1.081 . . . . 0.0 111.387 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.89 -48.93 76.84 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.162 171.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.05 73.25 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.955 -1.09 . . . . 0.0 111.901 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.54 -56.35 23.06 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.991 2.116 . . . . 0.0 109.023 169.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -60.52 -38.67 85.15 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -66.92 -46.52 74.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 129.54 3.136 . . . . 0.0 112.998 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -70.3 -43.96 69.28 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 119.513 1.051 . . . . 0.0 113.499 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 t -53.25 -38.24 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -162.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -59.74 -32.52 70.63 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 171.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.83 -9.81 54.91 Favored 'General case' 0 N--CA 1.479 1.019 1 C-N-CA 132.187 4.195 . . . . 0.0 112.372 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 t -142.54 -152.68 0.42 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.545 1.138 . . . . 0.0 112.527 -172.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -130.42 30.08 4.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.845 2.058 . . . . 0.0 114.245 -157.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.441 HD22 ' CG ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -49.0 129.64 17.64 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.343 1.544 . . . . 0.0 109.73 158.462 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.03 -177.74 3.2 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 130.067 3.347 . . . . 0.0 108.489 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.33 -42.68 78.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 119.766 -1.834 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.96 -43.38 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.845 1.658 . . . . 0.0 115.198 -170.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.584 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.25 -47.31 74.17 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 120.765 1.621 . . . . 0.0 108.79 172.293 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 27.5 t70 -62.03 -46.41 89.3 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.54 1.15 . . . . 0.0 111.81 -153.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -46.3 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.95 1.7 . . . . 0.0 113.965 176.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -49.22 71.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 123.029 1.395 . . . . 0.0 110.136 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -45.9 83.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 112.628 -2.078 . . . . 0.0 110.334 174.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.9 mmt85 -61.04 -35.13 76.09 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 122.092 2.224 . . . . 0.0 113.955 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.01 -34.75 77.09 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.91 64.24 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 129.542 3.137 . . . . 0.0 115.686 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.74 -51.79 25.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.731 2.812 . . . . 0.0 110.425 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.33 -30.69 69.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 160.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.07 -57.0 16.16 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 129.326 3.346 . . . . 0.0 109.258 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -69.77 -34.64 74.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.881 2.072 . . . . 0.0 112.803 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.3 ttt-85 -56.03 -48.94 75.02 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 120.639 -1.288 . . . . 0.0 109.617 -173.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.41 -36.2 73.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.07 -47.73 70.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 123.73 1.728 . . . . 0.0 110.152 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.676 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.26 17.4 mt -67.55 -32.73 73.7 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.325 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.25 -31.44 60.8 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 130.46 3.504 . . . . 0.0 112.137 174.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.27 -28.68 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.079 157.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -91.36 19.05 6.38 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.82 -20.22 55.6 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.041 1.736 . . . . 0.0 114.243 -170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -121.62 130.28 53.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.869 2.067 . . . . 0.0 110.608 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -131.53 157.82 42.56 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -154.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.23 136.59 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.784 1.633 . . . . 0.0 112.358 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 59.91 -21.3 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.313 1 C-N-CA 132.118 4.167 . . . . 0.0 118.418 166.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -33.5 76.08 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.477 1.111 . . . . 0.0 109.548 166.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.23 1.59 0.96 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 170.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.252 1.195 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -165.22 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 m -138.26 19.62 2.77 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.204 1.402 . . . . 0.0 112.943 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -75.89 -1.35 24.96 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.39 1.876 . . . . 0.0 115.654 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.7 mtt -138.22 159.08 42.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.699 1.6 . . . . 0.0 113.14 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.0 -6.98 57.66 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 115.484 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.1 tp 62.77 105.31 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.945 2.498 . . . . 0.0 113.342 -170.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 60.54 14.22 4.73 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 127.134 2.174 . . . . 0.0 114.961 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.3 p90 48.1 -17.12 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.504 3.922 . . . . 0.0 120.054 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -66.75 -31.35 71.94 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.032 2.133 . . . . 0.0 115.655 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.24 -21.15 66.28 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -155.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -33.0 69.03 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.855 0.359 . . . . 0.0 111.666 173.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -22.92 44.96 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -97.85 -19.61 18.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.936 1.294 . . . . 0.0 112.305 -170.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.92 -34.13 59.89 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.122 1.769 . . . . 0.0 112.546 160.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.51 73.91 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.362 2.265 . . . . 0.0 114.503 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.01 -28.78 66.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.048 2.139 . . . . 0.0 114.328 -162.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 5.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.731 2.412 . . . . 0.0 110.2 -154.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.42 -31.32 69.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.331 1.853 . . . . 0.0 113.699 -167.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -126.99 -37.55 2.09 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -61.95 -48.91 78.26 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.441 -175.098 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.5 mmm -58.61 -30.83 67.54 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.163 -1.586 . . . . 0.0 111.957 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.86 54.3 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 124.47 1.033 . . . . 0.0 111.693 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -66.65 -43.26 85.07 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 126.112 1.765 . . . . 0.0 107.797 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 24' ' ' ILE . 5.3 pt -71.5 -41.56 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 166.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -21.87 66.84 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.561 -1.337 . . . . 0.0 110.972 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 p -108.86 12.2 25.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.976 1.31 . . . . 0.0 113.771 173.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.6 p -74.4 105.51 5.58 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 120.939 1.699 . . . . 0.0 106.465 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.39 9.56 2.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.606 -1.934 . . . . 0.0 113.309 -166.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 p -153.99 139.2 17.48 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 125.972 1.709 . . . . 0.0 108.443 -164.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.73 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.99 -34.4 68.86 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 123.87 1.795 . . . . 0.0 109.972 173.078 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -58.78 -37.4 76.23 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.846 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.92 57.06 Favored Glycine 0 C--O 1.216 -1.024 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.495 HD11 ' HG ' ' A' ' 61' ' ' LEU . 46.7 tp -58.59 -44.47 89.84 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.244 -1.151 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.32 -32.77 74.37 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.972 3.309 . . . . 0.0 113.706 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.49 -42.29 68.24 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.524 1.13 . . . . 0.0 110.963 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -37.05 82.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.254 1.422 . . . . 0.0 111.734 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.32 -42.13 98.98 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 125.469 1.508 . . . . 0.0 111.163 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.73 71.76 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.414 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -33.99 76.26 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.26 1.846 . . . . 0.0 111.376 -174.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -59.36 -56.44 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.698 1.599 . . . . 0.0 109.624 169.298 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.8 mmpt? -62.13 -34.93 77.28 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.823 -1.173 . . . . 0.0 113.442 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -66.94 -40.35 87.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.965 3.306 . . . . 0.0 112.623 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -70.11 -43.44 71.0 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 114.563 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' TYR . 10.9 t -50.52 -36.81 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 127.058 2.143 . . . . 0.0 114.47 -164.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -30.03 34.36 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.959 1.703 . . . . 0.0 115.239 177.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.12 -12.25 59.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 130.049 3.34 . . . . 0.0 111.701 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.276 7.1 t -144.17 -123.04 0.08 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.555 1.142 . . . . 0.0 111.922 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.93 50.59 0.25 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.667 1.587 . . . . 0.0 112.295 -161.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 54' ' ' ASP . 1.4 tm? -45.38 112.65 0.47 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 123.28 1.514 . . . . 0.0 110.014 164.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.47 170.32 11.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 112.54 -2.118 . . . . 0.0 109.247 173.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.56 -43.3 75.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.452 0.644 . . . . 0.0 110.983 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.6 m -59.49 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.569 1.548 . . . . 0.0 113.555 -170.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.2 -45.59 92.69 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.563 ' HB2' HD11 ' A' ' 49' ' ' LEU . 23.3 t70 -63.56 -46.66 84.92 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.607 -168.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -46.66 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.76 69.91 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 123.113 1.435 . . . . 0.0 111.759 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -67.97 -45.86 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 CA-C-N 112.999 -1.91 . . . . 0.0 113.115 175.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -62.92 -42.98 99.98 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 119.596 1.089 . . . . 0.0 110.871 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.23 -28.99 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.525 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.28 64.87 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 129.626 3.17 . . . . 0.0 116.906 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' HD11 ' A' ' 33' ' ' LEU . 6.6 tt -70.77 -51.62 25.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 128.669 2.788 . . . . 0.0 110.605 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.7 68.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 159.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.78 -54.9 25.93 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 127.337 2.399 . . . . 0.0 109.749 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.668 2.387 . . . . 0.0 113.205 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.04 -47.47 77.8 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 120.068 1.304 . . . . 0.0 110.279 -170.448 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.38 78.13 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.37 -47.8 69.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.87 1.795 . . . . 0.0 110.422 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.309 16.3 mt -67.71 -32.69 73.5 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 112.17 -2.286 . . . . 0.0 115.5 -176.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.25 -31.42 60.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 130.402 3.481 . . . . 0.0 111.689 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.89 -29.27 68.33 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.336 158.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.7 t -93.9 24.62 4.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -53.06 -17.06 1.3 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.699 2.399 . . . . 0.0 115.687 -168.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -34.97 130.13 0.43 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 129.289 3.036 . . . . 0.0 114.856 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -116.19 156.46 26.48 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.803 1.241 . . . . 0.0 113.933 -165.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.8 t -46.52 131.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.251 1.421 . . . . 0.0 113.236 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.46 -30.27 0.11 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 130.511 3.524 . . . . 0.0 116.557 175.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.67 -34.31 62.67 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.571 1.548 . . . . 0.0 110.789 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 p -152.26 11.01 0.53 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 171.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--O 1.25 1.084 0 C-N-CA 124.487 1.115 . . . . 0.0 112.863 -176.439 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -137.79 10.42 2.88 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.289 1.436 . . . . 0.0 114.339 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 -62.36 160.42 13.38 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.161 1.385 . . . . 0.0 113.836 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mmt -139.13 159.58 41.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.175 1.79 . . . . 0.0 112.107 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 mt -78.64 -16.5 57.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -171.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.3 tp 59.51 -18.2 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.511 2.724 . . . . 0.0 115.893 -169.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -131.86 65.82 1.56 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.832 2.853 . . . . 0.0 109.147 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -56.16 -29.31 60.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -162.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.42 -31.12 72.19 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.41 1.484 . . . . 0.0 114.973 -175.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -159.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -32.81 69.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.333 174.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -22.3 50.96 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -95.45 -18.77 20.42 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.504 1.922 . . . . 0.0 112.393 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.32 -33.73 59.02 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.91 1.284 . . . . 0.0 113.273 155.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.72 80.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.246 1.818 . . . . 0.0 113.151 -169.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 17' ' ' ILE . 4.5 m -58.85 -24.09 61.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.203 2.601 . . . . 0.0 114.41 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 16' ' ' SER . 1.5 mp -128.88 -4.79 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 127.276 2.231 . . . . 0.0 111.857 -165.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.98 -25.21 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.501 1.92 . . . . 0.0 113.612 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.74 -55.91 1.39 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.207 1.403 . . . . 0.0 111.636 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.24 -48.65 78.29 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 118.798 0.726 . . . . 0.0 112.199 -168.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.6 mmm -58.41 -36.89 74.26 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.212 -1.555 . . . . 0.0 112.488 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.94 55.16 Favored Glycine 0 C--O 1.226 -0.399 0 N-CA-C 112.224 -0.35 . . . . 0.0 112.224 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -43.18 99.19 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 124.441 1.097 . . . . 0.0 111.368 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.586 HG21 HD12 ' A' ' 61' ' ' LEU . 2.2 pt -71.66 -54.39 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 169.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.93 62.13 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -110.5 12.53 22.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.675 1.99 . . . . 0.0 113.577 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.36 -31.72 64.06 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.574 -1.329 . . . . 0.0 114.098 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 73.3 -4.04 2.3 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 127.903 2.481 . . . . 0.0 114.742 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -148.04 137.71 22.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 125.062 1.345 . . . . 0.0 108.086 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.41 -34.42 70.34 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-O 123.612 1.672 . . . . 0.0 110.378 177.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.48 -35.55 74.33 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 112.9 -1.954 . . . . 0.0 110.82 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.78 48.02 Favored Glycine 0 C--O 1.216 -1.001 0 N-CA-C 115.906 1.123 . . . . 0.0 115.906 165.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 68' ' ' LEU . 16.2 tp -58.86 -41.27 86.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 119.214 1.507 . . . . 0.0 112.088 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.76 -33.08 75.04 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 130.581 3.553 . . . . 0.0 114.797 170.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.48 -43.01 61.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.889 1.275 . . . . 0.0 110.637 171.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.29 83.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.972 1.709 . . . . 0.0 111.258 167.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -63.29 -44.37 95.22 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 123.776 0.83 . . . . 0.0 110.915 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.9 79.93 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.855 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.02 73.31 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 120.4 -1.438 . . . . 0.0 112.633 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 1.2 t80 -59.4 -56.47 21.67 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.121 1.769 . . . . 0.0 108.332 166.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -36.9 79.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -67.22 -49.28 65.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.359 2.664 . . . . 0.0 111.826 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -70.42 -42.7 71.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 40' ' ' TYR . 2.2 m -67.48 -29.76 46.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 121.535 1.971 . . . . 0.0 112.169 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -59.45 -39.63 84.21 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.239 1.415 . . . . 0.0 112.644 165.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.93 -6.53 45.87 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.012 2.125 . . . . 0.0 113.884 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 t -140.19 -95.64 0.15 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.994 1.318 . . . . 0.0 110.899 171.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -155.07 -26.19 0.11 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 165.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 53' ' ' ASP 0.477 0.0 OUTLIER 36.36 126.06 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 117.436 2.384 . . . . 0.0 117.436 -143.494 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.46 161.19 3.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.406 153.11 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -61.06 -35.06 75.93 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -59.5 -42.35 91.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.425 1.49 . . . . 0.0 113.216 -171.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' HB3' HD22 ' A' ' 49' ' ' LEU . 9.1 t0 -60.86 -51.04 71.01 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 11.6 t70 -60.41 -46.14 91.06 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 127.201 2.2 . . . . 0.0 113.675 -165.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -46.19 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.221 1.009 . . . . 0.0 111.312 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.45 -49.91 69.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.945 -171.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -67.66 -45.98 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 CA-C-N 112.571 -2.104 . . . . 0.0 110.394 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -65.06 -37.31 87.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 122.96 2.618 . . . . 0.0 113.332 -177.24 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.67 -32.61 72.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.73 39.71 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 130.067 3.347 . . . . 0.0 116.637 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HG21 ' A' ' 24' ' ' ILE . 6.9 tt -70.69 -51.65 26.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 129.547 3.139 . . . . 0.0 111.056 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.57 70.51 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 159.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.32 -58.84 8.34 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 127.709 2.576 . . . . 0.0 110.436 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.282 27.2 tptt -69.93 -34.7 73.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 128.229 2.612 . . . . 0.0 114.343 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.02 -46.89 78.66 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.949 -1.719 . . . . 0.0 110.337 -169.093 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.42 78.35 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.19 -47.59 70.45 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.965 1.364 . . . . 0.0 110.784 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.723 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.29 16.4 mt -67.54 -32.4 73.16 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 112.121 -2.309 . . . . 0.0 114.902 -178.224 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.9 mt-10 -75.16 -31.86 61.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 129.903 3.281 . . . . 0.0 111.903 173.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -75.21 -10.4 59.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.822 1.649 . . . . 0.0 111.536 160.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.7 t -116.3 33.6 5.46 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.74 1.216 . . . . 0.0 113.56 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -47.59 -29.87 3.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.493 2.317 . . . . 0.0 115.552 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.4 t70 44.37 31.13 0.55 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 127.541 2.337 . . . . 0.0 116.513 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.94 129.74 42.96 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.769 1.227 . . . . 0.0 113.344 -169.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t 57.0 -56.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 128.83 2.852 . . . . 0.0 115.886 -167.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.0 -27.39 0.34 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 128.132 2.573 . . . . 0.0 114.593 -167.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.37 -49.25 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.431 2.292 . . . . 0.0 111.508 -170.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -174.5 143.86 0.85 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 129.495 3.118 . . . . 0.0 108.336 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.337 -0.84 . . . . 0.0 112.271 -176.513 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -72.88 -16.38 61.58 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -149.69 149.68 30.97 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.233 1.413 . . . . 0.0 112.434 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -153.62 153.36 32.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.367 1.867 . . . . 0.0 111.805 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -76.86 -32.19 57.34 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -159.48 -40.63 0.05 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.883 1.673 . . . . 0.0 112.042 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -143.96 145.15 32.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.153 1.781 . . . . 0.0 111.37 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -54.25 -35.6 62.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.582 1.553 . . . . 0.0 114.84 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.46 -31.19 71.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -168.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -74.29 -10.33 59.49 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 119.787 -1.82 . . . . 0.0 115.817 -165.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -58.35 -33.8 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.764 -0.774 . . . . 0.0 111.196 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.554 0.0 OUTLIER -81.81 -22.13 37.27 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -93.2 -25.12 17.96 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 128.051 2.54 . . . . 0.0 113.679 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.77 -35.04 57.97 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.543 1.537 . . . . 0.0 112.612 162.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.56 -36.73 3.15 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.59 2.356 . . . . 0.0 114.552 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.92 -35.65 73.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.544 2.338 . . . . 0.0 112.842 -171.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.3 4.67 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.374 0 C-N-CA 126.923 2.089 . . . . 0.0 111.079 -157.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.15 -27.53 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -173.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -137.31 -36.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.255 1.422 . . . . 0.0 114.236 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -60.15 -47.66 84.99 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 126.965 2.106 . . . . 0.0 113.022 177.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.6 mmm -60.45 -27.6 67.66 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 119.768 -1.833 . . . . 0.0 112.772 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.19 89.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.163 -0.961 . . . . 0.0 112.192 165.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.432 0.0 OUTLIER -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 129.145 2.978 . . . . 0.0 109.151 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG21 ' HB1' ' A' ' 60' ' ' ALA 0.258 43.4 mm -61.0 -54.38 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 126.105 1.762 . . . . 0.0 108.773 172.569 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -23.24 61.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.789 -166.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -108.42 12.45 26.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.409 2.283 . . . . 0.0 113.622 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.9 p -65.41 -20.26 66.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 120.714 -1.241 . . . . 0.0 112.843 -169.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 56.14 -10.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 132.582 4.353 . . . . 0.0 117.665 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 p -153.98 142.04 20.31 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.471 1.908 . . . . 0.0 107.495 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.36 -35.88 71.3 Favored 'General case' 0 C--O 1.211 -0.962 0 C-N-CA 117.79 -1.564 . . . . 0.0 110.056 177.246 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.7 -35.58 80.18 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 126.264 1.826 . . . . 0.0 111.581 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.4 46.26 Favored Glycine 0 C--O 1.212 -1.222 0 N-CA-C 116.141 1.216 . . . . 0.0 116.141 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 68' ' ' LEU . 16.3 tp -58.71 -39.65 81.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 120.398 2.099 . . . . 0.0 114.169 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.23 -33.44 74.58 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 129.914 3.286 . . . . 0.0 114.707 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.36 -38.65 63.15 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.693 1.197 . . . . 0.0 111.233 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.68 -37.11 82.9 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.097 1.359 . . . . 0.0 109.812 167.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.93 -44.6 80.23 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 125.281 1.433 . . . . 0.0 111.664 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.62 75.5 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.472 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -33.34 75.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.444 1.475 . . . . 0.0 111.179 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.67 -56.11 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.619 1.968 . . . . 0.0 108.151 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.3 mmpt? -63.2 -37.9 89.06 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -67.05 -46.65 73.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.347 3.059 . . . . 0.0 112.322 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -70.27 -45.1 67.08 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.38 -32.6 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -159.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.44 -32.98 74.7 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 171.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.93 -10.49 59.71 Favored 'General case' 0 N--CA 1.475 0.776 1 C-N-CA 132.032 4.133 . . . . 0.0 112.395 -177.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.0 t -141.23 -152.9 0.43 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.15 1.38 . . . . 0.0 112.459 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -132.25 28.64 4.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.946 2.098 . . . . 0.0 114.433 -156.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.28 129.35 18.23 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 123.44 1.591 . . . . 0.0 109.938 161.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -116.17 -178.48 3.42 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 129.695 3.198 . . . . 0.0 108.62 179.125 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.81 -43.15 76.64 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.512 -1.367 . . . . 0.0 110.449 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.1 m -59.7 -45.42 92.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -171.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.1 -48.0 75.23 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.456 1.48 . . . . 0.0 109.035 170.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.85 -46.59 84.3 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.503 1.127 . . . . 0.0 111.458 -157.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -46.49 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.624 -178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -49.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.804 1.287 . . . . 0.0 110.699 -170.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.95 -45.98 82.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 176.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -36.43 79.36 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 120.333 1.424 . . . . 0.0 111.257 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.19 -29.2 69.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.759 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.39 -41.67 69.34 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 131.157 3.783 . . . . 0.0 115.478 166.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tt -65.95 -51.59 57.22 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 124.903 1.281 . . . . 0.0 110.822 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.56 71.49 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.457 -1.701 . . . . 0.0 113.375 166.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.83 -57.33 16.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 128.629 3.014 . . . . 0.0 109.604 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -69.94 -34.6 73.66 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 127.277 2.231 . . . . 0.0 113.537 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.623 ' HG3' HD11 ' A' ' 30' ' ' LEU . 10.1 ttt-85 -55.99 -49.31 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 120.446 -1.409 . . . . 0.0 110.31 -172.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.32 72.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -67.32 -47.68 69.83 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.355 1.55 . . . . 0.0 110.24 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.666 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.5 mt -67.4 -32.74 73.84 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.182 -2.281 . . . . 0.0 115.815 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.1 mt-10 -75.3 -31.67 60.74 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 130.304 3.441 . . . . 0.0 112.053 176.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.75 -26.99 65.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.149 158.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -95.45 23.87 5.62 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.05 -16.74 7.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.783 2.033 . . . . 0.0 114.884 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -46.94 134.75 9.99 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.762 2.425 . . . . 0.0 114.497 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -133.18 128.87 36.93 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.496 1.518 . . . . 0.0 113.621 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t 54.67 -58.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.297 3.039 . . . . 0.0 116.045 -167.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.53 -28.5 0.4 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 128.134 2.574 . . . . 0.0 113.896 -167.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -161.48 -55.33 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.68 1.192 . . . . 0.0 113.072 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -166.71 18.35 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -160.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.228 1.411 . . . . 0.0 114.293 -170.686 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m -137.16 17.99 2.98 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.037 1.335 . . . . 0.0 113.401 -172.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -147.47 175.36 10.89 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.542 1.937 . . . . 0.0 112.016 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -133.76 154.85 50.68 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.067 1.347 . . . . 0.0 113.085 -173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.18 -25.65 66.25 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp 60.43 -33.39 0.07 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.126 2.971 . . . . 0.0 115.744 -169.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.42 112.77 9.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.998 2.519 . . . . 0.0 109.36 166.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -72.47 -8.5 55.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -170.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -57.5 -31.04 65.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.196 2.199 . . . . 0.0 114.88 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.41 -13.16 61.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.887 2.075 . . . . 0.0 113.734 -164.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -32.95 69.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.136 0.493 . . . . 0.0 110.718 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -22.15 44.51 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -92.35 -23.38 19.26 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.892 1.677 . . . . 0.0 110.386 -171.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -76.89 -38.13 54.15 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 125.965 1.706 . . . . 0.0 113.316 158.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.55 55.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.806 2.042 . . . . 0.0 114.152 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -27.68 65.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 127.783 2.433 . . . . 0.0 113.237 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.65 14.83 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 128.361 2.664 . . . . 0.0 110.998 -163.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -99.05 -7.94 26.04 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 127.212 2.205 . . . . 0.0 114.632 -171.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -130.99 -61.79 0.92 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.599 1.16 . . . . 0.0 112.109 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -57.54 -47.9 80.76 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 124.879 1.272 . . . . 0.0 112.936 -174.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.7 mmm -58.44 -35.78 72.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.259 1.424 . . . . 0.0 112.185 -171.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.01 56.08 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 123.979 0.799 . . . . 0.0 111.804 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.0 OUTLIER -62.71 -43.34 99.06 Favored 'General case' 0 N--CA 1.433 -1.322 0 C-N-CA 125.852 1.661 . . . . 0.0 109.317 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.661 HG21 HD12 ' A' ' 61' ' ' LEU . 8.6 pt -70.17 -44.33 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 168.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.08 65.41 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.617 0.644 . . . . 0.0 111.754 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -105.71 12.34 31.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.889 2.076 . . . . 0.0 113.657 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 68' ' ' LEU . 25.6 p -68.94 -23.74 64.19 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 119.298 -2.127 . . . . 0.0 113.467 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 58.71 -4.99 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.705 3.602 . . . . 0.0 116.566 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.9 p -153.63 139.19 17.79 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.874 1.67 . . . . 0.0 107.172 -169.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -70.03 -35.83 74.62 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.588 176.173 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.07 -35.05 77.46 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 126.335 1.854 . . . . 0.0 111.34 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.94 -43.63 40.28 Favored Glycine 0 C--O 1.211 -1.288 0 CA-C-O 118.436 -1.202 . . . . 0.0 115.756 163.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 68' ' ' LEU . 11.9 tp -58.56 -37.74 76.37 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.494 2.147 . . . . 0.0 113.224 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -32.8 74.59 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 129.837 3.255 . . . . 0.0 114.265 169.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.24 -39.03 63.33 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.434 1.093 . . . . 0.0 110.933 168.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.77 -39.21 90.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.994 1.717 . . . . 0.0 109.575 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -63.77 -45.71 88.54 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 125.17 1.388 . . . . 0.0 110.731 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -48.83 71.8 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.498 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -33.7 75.73 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.687 -1.258 . . . . 0.0 112.001 -175.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -56.51 21.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.736 2.014 . . . . 0.0 109.13 170.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -61.58 -36.47 80.76 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.89 -1.131 . . . . 0.0 113.304 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -66.97 -42.05 85.8 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.929 2.891 . . . . 0.0 113.278 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -70.28 -42.9 71.47 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.3 -34.77 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -161.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -31.07 69.22 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.974 1.71 . . . . 0.0 115.418 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.37 -10.35 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 130.926 3.691 . . . . 0.0 112.034 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 t -146.9 -143.75 0.14 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.09 1.356 . . . . 0.0 113.016 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -138.21 29.88 2.46 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.878 1.671 . . . . 0.0 114.524 -149.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 129.89 21.82 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 123.448 1.594 . . . . 0.0 109.797 165.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -115.01 -175.7 2.74 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 130.535 3.534 . . . . 0.0 108.192 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -55.94 -44.55 78.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 119.687 -1.883 . . . . 0.0 111.57 174.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.95 -45.21 93.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -168.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.573 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.28 -48.67 72.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.747 1.612 . . . . 0.0 109.044 171.053 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.3 -46.44 88.75 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 124.292 0.995 . . . . 0.0 111.428 -161.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -46.53 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.69 69.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.603 1.192 . . . . 0.0 111.393 -171.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -45.7 83.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.128 175.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.14 -43.62 98.42 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 119.653 1.115 . . . . 0.0 110.784 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.66 -28.73 68.69 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.809 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -45.78 61.99 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 129.737 3.215 . . . . 0.0 115.821 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.57 -51.79 26.04 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.132 2.573 . . . . 0.0 110.539 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.59 69.87 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 159.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.01 -56.66 17.74 Favored Glycine 0 C--O 1.223 -0.548 0 C-N-CA 128.51 2.957 . . . . 0.0 109.753 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -69.76 -34.61 74.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 128.298 2.639 . . . . 0.0 112.439 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.3 ttt-85 -55.82 -48.8 74.8 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.209 -0.932 . . . . 0.0 109.564 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.17 75.2 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.25 -47.63 70.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 123.566 1.651 . . . . 0.0 109.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.664 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.2 mt -67.6 -32.47 73.22 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.165 -2.289 . . . . 0.0 115.147 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.29 -32.47 61.0 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 130.29 3.436 . . . . 0.0 112.082 173.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.72 -15.19 62.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.845 1.258 . . . . 0.0 110.843 158.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.5 t -108.22 24.33 13.16 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 172.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.68 -20.96 52.9 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.68 1.592 . . . . 0.0 114.713 -170.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -133.52 145.92 50.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.873 1.669 . . . . 0.0 111.128 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -131.56 170.24 15.01 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -141.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.3 t -45.77 135.92 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.924 1.69 . . . . 0.0 112.271 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 61.14 -30.1 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 130.959 3.703 . . . . 0.0 117.185 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.14 -28.58 62.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.978 1.711 . . . . 0.0 110.831 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.6 p -144.69 -0.76 0.92 Allowed 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 165.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.249 1.045 0 C-N-CA 124.148 0.979 . . . . 0.0 112.641 -171.852 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -138.07 13.44 2.86 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.792 1.237 . . . . 0.0 113.869 -171.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -143.72 164.09 31.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.655 1.582 . . . . 0.0 112.842 -171.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.82 159.24 14.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.206 1.402 . . . . 0.0 112.788 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.47 -41.93 75.52 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.076 0.95 . . . . 0.0 113.469 -173.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.7 mt 54.19 -10.32 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 129.336 3.055 . . . . 0.0 118.629 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.83 10.3 3.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.612 1.965 . . . . 0.0 114.251 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -138.02 142.39 40.38 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.35 1.86 . . . . 0.0 111.185 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -58.69 -31.33 68.11 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -66.64 -29.88 70.02 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -150.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -32.81 69.11 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.212 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -24.17 37.09 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.929 1.691 . . . . 0.0 115.032 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -92.35 -22.29 19.78 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.968 0.907 . . . . 0.0 111.047 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.6 -39.72 64.4 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.94 159.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.85 -39.45 39.11 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.356 1.863 . . . . 0.0 113.94 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' HD12 ' A' ' 17' ' ' ILE . 2.8 m -58.96 -25.26 63.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.019 2.127 . . . . 0.0 114.629 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -116.18 -0.33 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 127.303 2.241 . . . . 0.0 110.924 -173.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.1 -14.93 49.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.703 1.601 . . . . 0.0 113.974 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.15 -72.33 0.69 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.422 1.489 . . . . 0.0 110.952 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.72 -48.66 80.38 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 124.475 1.11 . . . . 0.0 113.633 -167.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 32.6 mmm -58.46 -36.79 74.23 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.587 1.085 . . . . 0.0 113.023 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.09 -38.98 54.63 Favored Glycine 0 C--O 1.223 -0.554 0 CA-C-O 119.436 -0.646 . . . . 0.0 111.956 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.26 0.0 OUTLIER -61.99 -43.26 99.22 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 125.144 1.377 . . . . 0.0 109.688 -178.172 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD12 ' A' ' 61' ' ' LEU . 4.9 pt -70.81 -45.71 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 170.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.08 -21.8 65.25 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 118.758 0.708 . . . . 0.0 111.4 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.5 t -104.81 12.39 32.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.014 2.126 . . . . 0.0 113.453 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.0 p -68.78 -25.27 64.62 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.352 -2.093 . . . . 0.0 113.157 -168.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 57.5 -3.22 0.05 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 131.363 3.865 . . . . 0.0 116.8 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.1 p -153.7 139.73 18.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.956 1.702 . . . . 0.0 107.429 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.16 -36.39 74.69 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.55 1.643 . . . . 0.0 110.018 176.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 113.011 -1.904 . . . . 0.0 111.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -42.7 43.82 Favored Glycine 0 C--O 1.215 -1.078 0 CA-C-O 118.496 -1.169 . . . . 0.0 115.847 162.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HD12 ' A' ' 68' ' ' LEU . 13.7 tp -58.7 -41.0 85.29 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 120.251 2.025 . . . . 0.0 113.962 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.39 -33.79 72.98 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 130.17 3.388 . . . . 0.0 114.624 167.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.19 -39.1 63.4 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.535 1.134 . . . . 0.0 110.962 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.7 mt -61.58 -37.21 83.02 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.87 1.268 . . . . 0.0 110.066 167.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -65.88 -44.91 83.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.556 1.542 . . . . 0.0 111.359 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.98 76.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.704 171.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -32.06 73.18 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.623 -1.298 . . . . 0.0 111.635 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -59.56 -56.4 22.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.298 1.839 . . . . 0.0 108.493 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -60.95 -36.97 80.77 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.591 -1.318 . . . . 0.0 113.292 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -67.04 -46.83 73.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.821 2.848 . . . . 0.0 113.361 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -70.32 -39.12 74.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 170.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.86 -36.29 72.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 119.509 -1.994 . . . . 0.0 114.215 -166.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -65.49 -34.45 78.31 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.584 1.554 . . . . 0.0 114.246 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -79.85 -20.14 46.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 129.575 3.15 . . . . 0.0 110.667 -169.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -152.52 -136.41 0.06 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -136.55 40.83 2.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.26 1.824 . . . . 0.0 114.203 -149.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 125.21 10.97 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 123.575 1.655 . . . . 0.0 108.365 150.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.53 -177.14 3.28 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 128.488 2.715 . . . . 0.0 108.38 177.179 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.81 -40.98 76.96 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 119.988 -1.695 . . . . 0.0 111.617 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 m -59.44 -45.66 90.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -169.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.581 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.19 -50.51 67.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.038 1.29 . . . . 0.0 108.635 174.647 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.27 -45.13 94.38 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.931 1.292 . . . . 0.0 113.028 -160.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -46.32 80.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 124.545 1.138 . . . . 0.0 111.982 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -49.77 70.52 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.08 0.943 . . . . 0.0 108.628 -173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.63 -46.01 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-N 112.74 -2.027 . . . . 0.0 111.958 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -69.26 -37.41 77.91 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 122.685 2.493 . . . . 0.0 111.481 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.99 -30.88 70.25 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.939 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.32 -50.26 34.22 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 129.742 3.217 . . . . 0.0 116.468 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 24' ' ' ILE . 4.6 tt -70.75 -51.62 26.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.6 3.56 . . . . 0.0 110.405 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.64 71.73 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 161.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.62 -59.09 6.23 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 128.084 2.754 . . . . 0.0 110.549 170.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.78 -34.7 74.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 128.921 2.889 . . . . 0.0 112.539 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.2 ttt-85 -55.88 -49.62 72.88 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 124.521 1.129 . . . . 0.0 109.619 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.28 75.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.29 -47.74 69.72 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.277 1.513 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.684 ' HB2' HD12 ' A' ' 30' ' ' LEU . 18.0 mt -67.56 -32.18 72.76 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 112.514 -2.13 . . . . 0.0 115.695 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.2 mt-10 -75.17 -31.58 61.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.747 3.619 . . . . 0.0 112.155 174.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.75 -27.47 66.81 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.92 157.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -93.28 21.91 5.62 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -55.12 -16.86 3.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 127.518 2.327 . . . . 0.0 115.28 -171.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -46.76 144.25 2.43 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.581 2.752 . . . . 0.0 114.754 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -122.86 56.31 1.15 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.34 1.056 . . . . 0.0 113.372 -159.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t 65.84 -48.4 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 129.546 3.138 . . . . 0.0 117.325 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.2 -26.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 127.226 2.21 . . . . 0.0 114.039 -164.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.78 -24.83 59.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.271 1.028 . . . . 0.0 111.793 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -147.27 8.49 0.92 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 168.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.93 1.292 . . . . 0.0 112.039 -179.33 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -134.38 12.8 3.83 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -171.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -67.59 -22.21 65.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.894 1.277 . . . . 0.0 114.248 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.7 mmt -133.54 169.49 16.91 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.384 1.874 . . . . 0.0 112.428 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.21 -37.94 84.46 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -169.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 56.06 -15.64 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.601 2.76 . . . . 0.0 118.228 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -133.84 4.51 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.554 1.942 . . . . 0.0 114.25 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -146.45 148.8 32.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.471 1.508 . . . . 0.0 110.798 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -57.5 -31.16 65.75 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 -155.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -64.56 -28.91 69.96 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.125 -1.61 . . . . 0.0 115.293 -151.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -32.84 69.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.106 174.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -22.36 37.93 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.55 -24.05 17.41 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 124.934 1.294 . . . . 0.0 111.591 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -76.57 -28.81 56.37 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.404 1.482 . . . . 0.0 113.49 158.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -42.83 68.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 113.35 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.537 ' C ' HD12 ' A' ' 17' ' ' ILE . 5.0 m -59.35 -22.12 60.83 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.123 2.169 . . . . 0.0 114.267 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.537 HD12 ' C ' ' A' ' 16' ' ' SER . 1.7 mp -126.06 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.637 2.375 . . . . 0.0 111.634 -168.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.35 -25.05 57.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.991 1.716 . . . . 0.0 113.611 -167.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.7 -54.72 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.624 1.569 . . . . 0.0 112.291 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -57.07 -46.01 82.82 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.282 0.946 . . . . 0.0 113.039 -167.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 mmm -58.31 -39.39 79.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.259 1.424 . . . . 0.0 113.1 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.08 55.86 Favored Glycine 0 C--O 1.221 -0.669 0 O-C-N 121.917 -0.49 . . . . 0.0 112.239 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.301 0.1 OUTLIER -58.98 -43.22 91.36 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 118.322 1.061 . . . . 0.0 111.525 -178.672 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 61' ' ' LEU . 5.2 pt -71.53 -54.48 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 170.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.33 -22.03 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.546 -0.722 . . . . 0.0 111.926 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -111.31 12.53 21.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.92 2.088 . . . . 0.0 114.274 172.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.52 -31.69 66.31 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 120.258 -1.526 . . . . 0.0 113.579 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 69.72 -3.82 1.58 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.278 2.631 . . . . 0.0 114.85 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p -146.19 137.65 24.71 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 125.114 1.366 . . . . 0.0 108.512 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.43 -33.44 69.42 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 123.28 1.514 . . . . 0.0 110.044 178.443 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.35 -34.54 75.46 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.833 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.85 47.63 Favored Glycine 0 C--O 1.216 -1.028 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 164.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 68' ' ' LEU . 22.0 tp -58.66 -42.78 89.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 119.138 1.469 . . . . 0.0 112.298 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.49 -32.92 74.52 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 130.227 3.411 . . . . 0.0 114.149 170.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.27 -42.39 59.69 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.735 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.21 82.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.216 1.806 . . . . 0.0 110.345 167.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.09 -46.16 88.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 119.361 0.982 . . . . 0.0 110.668 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -46.34 83.73 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.508 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.12 77.6 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.972 1.26 . . . . 0.0 112.387 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -59.59 -56.39 22.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 109.259 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -60.29 -34.68 74.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -49.43 67.13 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 128.191 2.596 . . . . 0.0 111.414 175.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -70.07 -46.04 65.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -58.63 -36.24 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 120.77 1.623 . . . . 0.0 113.11 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -59.53 -40.32 86.77 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.955 0.902 . . . . 0.0 113.139 169.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -11.64 60.66 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.507 1.923 . . . . 0.0 112.615 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 t -153.2 -135.22 0.05 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.532 0.733 . . . . 0.0 111.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -144.37 63.01 1.33 Allowed 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.313 1.53 . . . . 0.0 112.588 -162.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 1.7 tt -55.09 99.57 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.214 -1.812 . . . . 0.0 112.112 167.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.14 166.24 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 113.452 -1.704 . . . . 0.0 112.911 160.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.05 -38.69 89.68 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.423 ' HA ' HD11 ' A' ' 55' ' ' ILE . 54.4 m -59.46 -42.49 92.14 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.478 1.511 . . . . 0.0 113.188 -168.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' O ' HG22 ' A' ' 57' ' ' VAL . 8.5 t0 -61.58 -50.76 71.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.31 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.18 -46.23 90.41 Favored 'General case' 0 C--O 1.211 -0.937 0 C-N-CA 128.336 2.655 . . . . 0.0 112.227 -165.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.68 -46.4 79.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 174.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.42 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.59 -49.85 69.52 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 118.545 -1.262 . . . . 0.0 107.662 -172.335 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ASP . 22.9 m -67.86 -46.36 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.113 0 CA-C-N 112.272 -2.24 . . . . 0.0 113.273 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -69.12 -34.25 74.75 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 123.176 2.716 . . . . 0.0 112.864 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.27 -30.57 63.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.332 1.063 . . . . 0.0 111.454 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -46.83 60.21 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 129.676 3.19 . . . . 0.0 116.381 168.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 24' ' ' ILE . 2.3 tt -70.85 -51.72 24.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 129.5 3.12 . . . . 0.0 110.743 -178.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.54 69.85 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 158.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.7 -56.46 20.21 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.705 2.098 . . . . 0.0 109.906 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -69.65 -34.7 74.38 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 129.332 3.053 . . . . 0.0 113.872 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.639 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -55.98 -47.43 77.7 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 119.761 -1.837 . . . . 0.0 110.397 -171.36 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.38 77.13 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.12 -47.78 70.09 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.976 1.37 . . . . 0.0 111.376 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.278 15.4 mt -67.46 -32.58 73.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.033 -2.349 . . . . 0.0 114.782 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.2 -31.98 61.07 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.544 3.538 . . . . 0.0 111.807 173.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.07 -13.63 61.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.635 1.174 . . . . 0.0 111.088 158.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 68' ' ' LEU . 7.2 t -106.19 21.12 17.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.263 1.025 . . . . 0.0 113.361 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.85 -24.89 54.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.981 1.712 . . . . 0.0 113.578 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.95 104.11 0.08 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.553 2.741 . . . . 0.0 112.929 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.4 116.08 11.31 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.767 1.227 . . . . 0.0 111.592 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.5 t 57.11 -54.86 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 128.92 2.888 . . . . 0.0 114.856 -160.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.87 -30.36 0.44 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 128.932 2.893 . . . . 0.0 113.785 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -163.97 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.011 1.724 . . . . 0.0 112.867 -174.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 p -167.0 14.39 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -162.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.133 1.373 . . . . 0.0 112.46 -167.078 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -138.98 22.59 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.645 1.578 . . . . 0.0 112.741 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -140.44 12.11 2.34 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -160.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.05 143.35 52.21 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.168 0.987 . . . . 0.0 113.556 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.1 mt -79.15 -13.77 59.52 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.49 -46.73 87.97 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.595 1.558 . . . . 0.0 114.877 -167.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.25 23.15 0.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -131.98 168.99 16.95 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.117 1.767 . . . . 0.0 112.565 -175.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -57.56 -31.12 65.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.332 2.253 . . . . 0.0 115.076 -170.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -56.73 -23.75 44.77 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.965 2.506 . . . . 0.0 117.648 -168.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -32.91 68.74 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.931 172.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -22.66 53.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.2 -22.27 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.734 1.614 . . . . 0.0 112.923 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -76.82 -32.07 57.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.085 1.354 . . . . 0.0 112.802 161.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.36 72.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.047 2.139 . . . . 0.0 114.401 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -30.46 68.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.495 2.318 . . . . 0.0 113.581 -161.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.62 7.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 127.643 2.377 . . . . 0.0 110.413 -154.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.43 -25.78 59.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.761 1.624 . . . . 0.0 114.062 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.5 -44.35 1.0 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.088 1.355 . . . . 0.0 113.707 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -48.87 78.89 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.186 1.395 . . . . 0.0 113.079 -174.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 mmm -58.51 -30.36 66.99 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.095 -1.628 . . . . 0.0 112.146 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.88 -38.95 55.92 Favored Glycine 0 C--O 1.222 -0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 112.023 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.04 -43.17 83.45 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 126.323 1.849 . . . . 0.0 107.984 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.595 HG21 HD12 ' A' ' 61' ' ' LEU . 4.0 pt -71.23 -42.54 74.96 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 167.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -22.52 66.13 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.91 1.232 . . . . 0.0 111.964 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.1 t -102.79 12.46 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.37 2.268 . . . . 0.0 112.974 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.8 p -69.11 -23.55 64.01 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.579 -1.951 . . . . 0.0 113.451 -167.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 59.86 -5.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 131.285 3.834 . . . . 0.0 116.586 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 p -154.02 139.19 17.44 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.779 1.631 . . . . 0.0 107.653 -169.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -69.96 -36.18 75.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 117.481 -1.688 . . . . 0.0 109.214 177.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.64 -35.7 78.68 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.403 -176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.33 51.23 Favored Glycine 0 C--O 1.214 -1.11 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 163.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -59.15 -43.56 92.08 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 120.37 2.085 . . . . 0.0 114.303 175.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.81 -32.96 71.13 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 129.887 3.275 . . . . 0.0 113.956 168.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -41.72 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.815 2.446 . . . . 0.0 109.812 171.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.55 -36.95 82.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.019 2.128 . . . . 0.0 109.536 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -69.54 -44.39 71.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 112.26 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.96 97.21 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.073 171.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -33.9 76.63 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.312 0.645 . . . . 0.0 112.712 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.47 -55.34 35.87 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.485 1.514 . . . . 0.0 108.473 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.1 mmpt? -60.4 -34.96 74.68 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.84 -41.63 87.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.836 2.854 . . . . 0.0 112.623 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -70.17 -46.83 63.83 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 126.18 1.792 . . . . 0.0 114.652 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.15 -24.64 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 127.028 2.131 . . . . 0.0 116.43 -161.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.73 -31.11 32.19 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 170.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.63 -10.89 58.75 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 130.947 3.699 . . . . 0.0 112.023 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.9 t -147.85 -146.23 0.19 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.048 1.339 . . . . 0.0 112.031 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -138.34 46.6 2.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.661 1.984 . . . . 0.0 111.052 -150.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 54' ' ' ASP . 2.6 tm? -55.47 90.26 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 123.868 1.794 . . . . 0.0 110.154 167.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -61.38 170.62 1.72 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.399 1.88 . . . . 0.0 110.527 161.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -59.38 -40.3 86.1 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.149 -0.969 . . . . 0.0 112.555 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.1 m -59.7 -48.34 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.157 1.383 . . . . 0.0 113.621 -171.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.16 -45.2 94.48 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' HB2' HD11 ' A' ' 49' ' ' LEU . 54.1 t0 -62.97 -46.51 87.39 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.19 -166.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.43 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.533 0.682 . . . . 0.0 112.468 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.71 69.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.13 -171.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.93 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.266 1.426 . . . . 0.0 113.816 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -69.09 -36.88 78.05 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 119.587 1.085 . . . . 0.0 111.193 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.36 -31.35 71.53 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.515 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.81 67.69 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 129.754 3.222 . . . . 0.0 115.966 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -68.89 -51.36 40.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 127.217 2.207 . . . . 0.0 109.248 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.84 70.23 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 162.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.62 26.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 128.45 2.928 . . . . 0.0 109.832 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -69.83 -34.54 73.79 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 127.446 2.298 . . . . 0.0 112.895 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.3 ttt180 -55.86 -48.93 74.67 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 124.41 1.084 . . . . 0.0 109.694 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.14 74.25 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.22 -47.74 69.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 123.098 1.427 . . . . 0.0 110.386 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.662 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.3 mt -67.69 -31.94 72.24 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.337 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mt-10 -75.17 -31.56 61.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 130.346 3.458 . . . . 0.0 112.239 173.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -20.55 64.4 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.201 156.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -101.97 21.61 14.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 174.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.41 -14.41 12.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.826 2.051 . . . . 0.0 115.145 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -42.71 135.38 2.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.497 1.919 . . . . 0.0 114.483 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -118.56 152.41 36.05 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.36 1.464 . . . . 0.0 113.774 -165.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -49.91 135.61 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.865 1.266 . . . . 0.0 112.78 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 58.06 -22.68 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 131.295 3.838 . . . . 0.0 119.103 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.88 -31.62 72.34 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.164 0.986 . . . . 0.0 111.059 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 p -160.25 5.39 0.08 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.888 1.275 . . . . 0.0 113.339 -179.001 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.097 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -152.66 -41.85 0.1 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -143.52 32.78 1.3 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.531 1.132 . . . . 0.0 113.081 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -146.19 152.78 39.79 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.323 1.449 . . . . 0.0 112.574 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -74.96 -45.41 42.49 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.334 0.654 . . . . 0.0 111.589 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.4 tp -151.03 -30.07 0.18 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.521 1.928 . . . . 0.0 113.254 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -146.99 147.48 30.75 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.599 1.96 . . . . 0.0 111.71 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -58.58 -30.93 67.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.11 -31.17 71.6 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.878 2.071 . . . . 0.0 114.933 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.07 -10.7 60.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.592 1.957 . . . . 0.0 113.752 -168.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -32.9 69.1 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.005 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.44 -37.65 63.22 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.812 0.815 . . . . 0.0 112.743 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -79.39 -20.21 48.2 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.254 -0.904 . . . . 0.0 113.069 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 -25.6 63.57 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.653 2.381 . . . . 0.0 113.681 158.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.09 -26.18 15.07 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.094 1.758 . . . . 0.0 114.145 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 t -58.93 -31.67 68.87 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.524 2.33 . . . . 0.0 112.104 -162.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.64 3.03 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 125.196 1.398 . . . . 0.0 112.768 -153.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.98 -23.29 28.78 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.11 -34.24 1.68 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.83 1.252 . . . . 0.0 114.342 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -47.65 83.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.584 1.954 . . . . 0.0 112.275 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 mmm -58.38 -32.82 68.95 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.063 -1.648 . . . . 0.0 111.717 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.78 -39.0 56.3 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 125.355 1.455 . . . . 0.0 112.397 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -67.98 -43.29 79.29 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.081 1.752 . . . . 0.0 107.995 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.473 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.78 -44.73 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.188 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.02 65.59 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.899 -1.125 . . . . 0.0 112.498 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -102.88 12.51 36.06 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.724 2.01 . . . . 0.0 112.776 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.4 p -71.63 -21.46 61.83 Favored 'General case' 0 CA--C 1.561 1.373 0 O-C-N 119.761 -1.837 . . . . 0.0 112.696 -163.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 58.31 -5.88 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 131.068 3.747 . . . . 0.0 117.516 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.89 138.36 16.79 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 126.501 1.92 . . . . 0.0 107.274 -169.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -68.53 -37.08 79.69 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 117.902 -1.519 . . . . 0.0 109.778 174.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.27 -35.77 78.22 Favored 'General case' 0 N--CA 1.422 -1.872 0 C-N-CA 125.708 1.603 . . . . 0.0 111.245 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.96 -41.81 47.21 Favored Glycine 0 C--O 1.214 -1.134 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 163.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -58.85 -37.62 76.9 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.659 2.23 . . . . 0.0 113.787 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.73 -32.73 74.44 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 129.947 3.299 . . . . 0.0 113.796 169.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.41 -38.19 63.15 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.057 1.343 . . . . 0.0 111.836 167.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.6 -37.25 83.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.41 1.484 . . . . 0.0 109.744 166.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.54 -39.3 74.08 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.636 1.574 . . . . 0.0 112.629 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.36 91.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.553 168.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -32.11 73.14 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.056 -1.027 . . . . 0.0 112.094 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.59 -55.45 34.36 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.816 1.246 . . . . 0.0 108.739 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -59.89 -37.19 78.68 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.017 -1.052 . . . . 0.0 113.164 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -67.0 -33.56 75.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 129.058 2.943 . . . . 0.0 113.431 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -70.36 -45.27 66.41 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.73 -25.88 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 120.368 -1.457 . . . . 0.0 114.655 -163.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -66.21 -32.48 73.94 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 168.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -93.05 -13.21 28.91 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 130.862 3.665 . . . . 0.0 110.958 -165.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 t -143.78 -131.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 126.721 2.009 . . . . 0.0 107.929 168.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -132.05 -23.2 2.23 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.413 0.0 OUTLIER 35.05 152.16 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 130.191 3.397 . . . . 0.0 117.469 -149.276 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.35 153.09 31.96 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.554 170.698 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.6 -41.34 81.04 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 122.594 1.188 . . . . 0.0 109.498 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.301 19.3 m -59.35 -35.11 73.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.636 2.774 . . . . 0.0 113.532 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.8 -49.71 19.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.284 0.493 . . . . 0.0 110.064 165.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.266 4.9 t0 -64.24 -46.73 82.51 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 117.23 -1.367 . . . . 0.0 111.147 -162.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -46.52 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 123.866 1.793 . . . . 0.0 112.625 -173.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -49.68 70.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 111.317 -2.674 . . . . 0.0 110.163 -166.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -45.84 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 112.615 -2.084 . . . . 0.0 113.274 170.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -59.4 -38.06 79.59 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 121.493 1.951 . . . . 0.0 112.911 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.31 -35.34 79.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.84 62.21 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 129.315 3.046 . . . . 0.0 116.759 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.92 -51.65 31.14 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 127.95 2.5 . . . . 0.0 109.589 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.61 71.36 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 163.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.35 -58.43 9.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 128.832 3.111 . . . . 0.0 109.415 174.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.266 0.4 OUTLIER -69.75 -34.66 74.12 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.315 1.846 . . . . 0.0 113.177 176.192 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.663 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.0 ttt-85 -55.89 -48.7 75.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.625 -1.297 . . . . 0.0 110.508 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.14 74.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.35 -47.82 69.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 123.566 1.651 . . . . 0.0 109.624 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.5 mt -67.58 -32.17 72.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.248 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.1 -31.55 61.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 129.987 3.315 . . . . 0.0 110.969 175.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -25.63 64.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.827 0.851 . . . . 0.0 110.768 158.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.1 t -93.96 23.38 4.94 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.87 -23.14 4.45 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -165.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.79 -8.04 24.69 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -173.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 48.3 32.07 2.99 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 128.394 2.678 . . . . 0.0 117.788 161.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.4 t -74.2 -54.38 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 122.798 1.285 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.3 -44.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 129.0 2.92 . . . . 0.0 109.568 -172.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -143.65 -62.63 0.4 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.196 2.198 . . . . 0.0 110.294 154.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 p -165.46 9.98 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -164.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.0 t80 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.758 1.623 . . . . 0.0 112.7 -173.32 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 m -67.68 -24.08 65.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -137.72 -0.75 2.1 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 -173.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.0 mtm -146.44 143.34 28.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.21 1.404 . . . . 0.0 112.284 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 -21.96 46.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.478 1.511 . . . . 0.0 114.247 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 mt 58.4 3.23 0.25 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.508 2.323 . . . . 0.0 115.488 -167.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.64 103.31 2.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.206 2.603 . . . . 0.0 108.4 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -74.3 -22.02 59.47 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -164.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -59.34 -31.17 68.94 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.584 1.954 . . . . 0.0 115.371 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.76 -20.51 66.29 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 114.429 -160.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -32.79 68.82 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.167 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -22.38 41.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -94.21 -21.07 19.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.276 1.43 . . . . 0.0 112.35 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.33 -45.92 68.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.42 1.088 . . . . 0.0 112.083 155.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.04 57.06 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.482 1.513 . . . . 0.0 113.43 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.25 -25.86 64.41 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.133 2.573 . . . . 0.0 114.54 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mp -118.11 -31.82 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.925 1.69 . . . . 0.0 112.228 -170.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.67 -33.81 56.57 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.035 2.534 . . . . 0.0 115.3 -164.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.25 -40.24 3.95 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.508 1.123 . . . . 0.0 112.861 167.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -48.74 79.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.766 1.226 . . . . 0.0 113.807 -174.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -29.13 69.53 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 119.832 -1.792 . . . . 0.0 112.945 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.08 53.2 Favored Glycine 0 C--O 1.22 -0.777 0 C-N-CA 124.587 1.089 . . . . 0.0 112.259 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -60.38 -43.23 96.79 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 128.009 2.524 . . . . 0.0 109.329 177.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 61' ' ' LEU . 34.8 mm -61.16 -54.66 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.754 1.222 . . . . 0.0 108.824 171.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.92 62.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.726 -164.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -107.62 12.38 27.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 113.525 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' A' ' 68' ' ' LEU . 32.0 p -66.59 -22.19 66.13 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 120.669 -1.269 . . . . 0.0 112.186 -168.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 54.43 -10.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 1 C-N-CA 133.12 4.568 . . . . 0.0 118.264 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.98 142.79 21.01 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 126.769 2.028 . . . . 0.0 107.646 -166.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.681 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.88 -35.89 69.9 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.489 177.482 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.98 -35.2 79.39 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 125.754 1.622 . . . . 0.0 111.551 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.02 -40.51 51.19 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 117.917 -1.491 . . . . 0.0 115.682 163.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 68' ' ' LEU . 10.3 tp -58.76 -44.17 90.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 120.752 2.276 . . . . 0.0 113.059 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 130.461 3.505 . . . . 0.0 114.917 164.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.09 -37.47 64.18 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.205 1.002 . . . . 0.0 111.918 167.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -37.25 82.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.259 1.024 . . . . 0.0 109.872 166.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.29 -40.1 86.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 126.063 1.745 . . . . 0.0 113.065 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.17 74.68 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.196 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -32.62 73.96 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.848 -1.157 . . . . 0.0 111.354 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.0 t80 -59.33 -56.49 21.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.817 1.647 . . . . 0.0 106.809 172.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mmpm? -59.61 -41.24 89.91 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.522 -0.736 . . . . 0.0 112.348 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -67.09 -35.58 80.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 129.918 3.287 . . . . 0.0 113.664 -175.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.43 -50.54 37.31 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 119.303 0.956 . . . . 0.0 113.139 160.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' TYR . 99.1 t -59.11 -29.11 40.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 120.054 -1.654 . . . . 0.0 114.592 -167.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -38.77 91.95 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 168.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -81.53 -13.15 58.44 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 129.574 3.149 . . . . 0.0 113.276 170.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 t 48.39 105.11 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 130.257 3.423 . . . . 0.0 116.853 163.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.294 2.5 pt-20 -141.09 28.93 1.86 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 111.884 -2.416 . . . . 0.0 113.925 136.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' CB ' HG22 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.02 112.07 18.76 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.649 162.566 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -84.97 -168.59 2.27 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 113.553 -1.658 . . . . 0.0 108.017 170.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -62.61 -37.88 87.99 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 120.306 -1.496 . . . . 0.0 113.565 170.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 -43.51 77.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.609 1.564 . . . . 0.0 114.411 -165.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.579 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -60.78 -48.56 81.25 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 172.595 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB2' HD21 ' A' ' 49' ' ' LEU . 27.5 t0 -60.31 -44.36 95.5 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 122.035 0.922 . . . . 0.0 112.196 -158.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -68.46 -46.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.552 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -49.74 69.83 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.878 1.323 . . . . 0.0 108.512 -173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 53' ' ' ASP . 32.6 m -68.01 -45.93 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.747 0 CA-C-N 112.363 -2.199 . . . . 0.0 116.197 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -69.13 -37.43 78.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.046 1.748 . . . . 0.0 113.261 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.44 -27.2 61.3 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.786 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.27 -44.55 65.03 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 131.476 3.91 . . . . 0.0 115.276 163.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -68.05 -51.59 45.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 121.272 -0.892 . . . . 0.0 109.122 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.25 -30.83 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.199 -1.364 . . . . 0.0 113.965 165.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 -58.38 14.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 128.63 3.014 . . . . 0.0 109.33 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.273 19.0 tptt -69.94 -34.54 73.57 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 126.441 1.896 . . . . 0.0 114.944 172.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.9 ttt-85 -56.04 -48.38 76.11 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 120.146 1.339 . . . . 0.0 109.888 -168.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.33 -47.72 69.66 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 124.07 1.89 . . . . 0.0 110.073 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.681 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.1 mt -67.69 -32.09 72.51 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 111.72 -2.491 . . . . 0.0 115.971 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.8 mt-10 -75.25 -31.55 60.83 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.265 3.426 . . . . 0.0 112.026 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.52 -27.84 67.32 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.845 158.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -93.17 21.13 6.17 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.803 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.24 -26.37 60.63 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.556 1.543 . . . . 0.0 113.375 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -82.46 127.93 33.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.668 1.987 . . . . 0.0 112.102 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -130.19 126.0 36.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.502 1.121 . . . . 0.0 113.752 -168.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.2 t 57.48 -57.02 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 129.318 3.047 . . . . 0.0 115.814 -170.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -145.55 -28.6 0.44 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.96 2.504 . . . . 0.0 113.428 -169.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -164.01 -54.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.51 1.524 . . . . 0.0 112.508 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.0 p -168.55 20.78 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -162.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.383 1.473 . . . . 0.0 112.666 -165.097 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -62.61 147.18 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.961 1.304 . . . . 0.0 114.099 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -63.66 160.55 16.7 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.611 1.165 . . . . 0.0 113.062 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.9 mtt -136.3 134.85 38.41 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.229 1.412 . . . . 0.0 111.489 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.6 mt -71.67 -28.02 63.45 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.35 1.6 1.79 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.868 1.267 . . . . 0.0 114.054 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 53.97 35.16 21.29 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.564 1.546 . . . . 0.0 113.877 -169.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -136.57 136.78 39.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.38 1.872 . . . . 0.0 111.225 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -57.62 -31.25 66.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.037 2.135 . . . . 0.0 116.035 -161.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -74.34 -10.38 59.53 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -173.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -58.51 -32.93 69.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.523 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.461 0.0 OUTLIER -81.68 -22.12 37.66 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 117.7 2.481 . . . . 0.0 117.7 179.616 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -92.43 -22.58 19.54 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.691 2.396 . . . . 0.0 114.549 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -74.6 -38.16 62.67 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.303 -1.498 . . . . 0.0 111.606 161.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.61 3.06 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.273 2.229 . . . . 0.0 114.12 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 17' ' ' ILE . 3.8 m -58.93 -28.42 66.22 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 128.431 2.693 . . . . 0.0 114.031 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -117.61 -1.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.536 0 C-N-CA 127.613 2.365 . . . . 0.0 111.148 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.14 -21.89 49.64 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.719 2.008 . . . . 0.0 113.742 -166.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -127.49 -59.47 1.22 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 111.599 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -57.17 -48.4 78.83 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -166.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.6 mmm -58.38 -37.46 75.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.743 1.217 . . . . 0.0 113.265 -174.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -39.01 56.59 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 123.424 0.535 . . . . 0.0 112.105 169.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.284 0.0 OUTLIER -61.23 -43.26 99.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.073 1.349 . . . . 0.0 109.847 -177.989 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 61' ' ' LEU . 4.7 pt -71.45 -45.63 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 169.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.91 65.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.53 0.604 . . . . 0.0 111.579 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -108.11 12.49 26.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.954 2.101 . . . . 0.0 113.571 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.551 ' SG ' HD11 ' A' ' 68' ' ' LEU . 28.6 p -69.12 -21.73 64.01 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 119.215 -2.178 . . . . 0.0 114.267 -168.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 60.71 -4.69 0.12 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 130.233 3.413 . . . . 0.0 116.436 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 p -153.91 137.03 15.57 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 125.986 1.714 . . . . 0.0 107.669 -169.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.53 -36.44 76.4 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 122.873 1.321 . . . . 0.0 109.614 175.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.27 -34.93 75.98 Favored 'General case' 0 N--CA 1.425 -1.675 0 C-N-CA 125.728 1.611 . . . . 0.0 111.784 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -42.09 46.24 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.453 163.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 68' ' ' LEU . 13.8 tp -58.76 -42.66 89.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 120.498 2.149 . . . . 0.0 113.531 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.43 -33.14 70.89 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 129.914 3.286 . . . . 0.0 114.55 167.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.45 -38.59 62.95 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.638 1.175 . . . . 0.0 111.481 168.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.1 mt -61.68 -37.2 83.21 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.766 1.226 . . . . 0.0 110.139 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.56 -45.63 78.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 124.975 1.31 . . . . 0.0 111.306 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.59 82.71 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.833 170.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.4 73.55 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.779 -1.201 . . . . 0.0 111.653 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.55 -56.41 22.3 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.905 1.682 . . . . 0.0 108.563 168.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -38.29 81.97 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.976 -1.077 . . . . 0.0 113.565 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 59.4 mmtt -67.23 -41.2 86.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 129.154 2.982 . . . . 0.0 113.311 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -70.46 -38.37 74.44 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 171.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.45 -35.69 73.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.529 -1.357 . . . . 0.0 114.143 -166.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 34.7 pttt -63.25 -32.02 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.44 -11.18 52.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.482 3.113 . . . . 0.0 111.203 -167.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 t -138.34 -92.55 0.2 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.327 167.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.25 -35.19 0.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 165.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER 43.95 164.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 123.475 1.607 . . . . 0.0 115.046 -148.611 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -121.21 173.99 6.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.357 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -53.45 -44.05 68.58 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.248 1.023 . . . . 0.0 109.867 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -59.49 -41.98 91.06 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.333 1.453 . . . . 0.0 114.278 -170.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.71 -51.14 52.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.822 1.646 . . . . 0.0 108.936 171.16 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.35 -45.87 91.95 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.432 1.493 . . . . 0.0 113.116 -161.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -46.36 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.945 0.898 . . . . 0.0 111.999 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -49.77 70.44 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.754 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -67.9 -46.08 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 0 CA-C-N 113.01 -1.904 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -69.3 -36.15 76.73 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 122.357 2.344 . . . . 0.0 111.737 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.27 -30.83 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.031 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -49.51 40.45 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 130.075 3.35 . . . . 0.0 116.366 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 HG21 ' A' ' 24' ' ' ILE . 3.1 tt -70.43 -51.65 27.88 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.571 3.548 . . . . 0.0 110.703 -178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -30.48 71.17 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 159.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.19 -57.35 10.27 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 127.906 2.67 . . . . 0.0 110.366 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -34.67 74.09 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 128.652 2.781 . . . . 0.0 113.216 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 3.9 ttt-85 -55.91 -48.8 75.01 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.983 0.913 . . . . 0.0 109.524 -174.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.22 75.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.35 -47.67 69.76 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.708 1.242 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.8 mt -67.61 -33.06 74.23 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 112.179 -2.282 . . . . 0.0 115.647 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.7 mt-10 -75.29 -32.34 60.98 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 130.183 3.393 . . . . 0.0 111.366 173.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -72.64 -11.26 60.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 111.163 159.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -113.02 21.58 15.25 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.121 1.368 . . . . 0.0 113.695 172.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.57 -22.73 23.27 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.686 1.594 . . . . 0.0 114.753 -167.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.99 -23.15 63.1 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -172.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 39.48 40.01 0.55 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 129.657 3.183 . . . . 0.0 115.423 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.3 t -135.69 137.79 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.896 2.079 . . . . 0.0 108.02 161.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 56.72 -34.49 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 131.193 3.797 . . . . 0.0 118.979 171.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.8 -32.72 62.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.138 1.775 . . . . 0.0 110.557 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 p -146.25 145.43 30.39 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.532 2.333 . . . . 0.0 109.819 162.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.2 p90 . . . . . 0 C--O 1.256 1.419 0 CA-C-O 117.653 -1.165 . . . . 0.0 112.574 -168.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -59.39 153.31 19.34 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.429 1.092 . . . . 0.0 113.689 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -134.06 -0.91 3.01 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.49 157.28 38.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.018 1.327 . . . . 0.0 113.269 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.5 mt -79.07 -20.45 48.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.978 1.311 . . . . 0.0 113.887 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 tp 54.45 23.11 4.26 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 126.949 2.099 . . . . 0.0 114.575 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -154.07 110.35 3.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.73 2.012 . . . . 0.0 110.507 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.16 -18.83 65.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -78.09 -33.07 50.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.76 -44.0 82.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.315 -1.491 . . . . 0.0 113.589 -150.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -67.03 -32.89 74.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.775 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.6 mp -72.52 -35.83 68.19 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.168 0.987 . . . . 0.0 112.668 171.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -82.68 -18.72 39.96 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.49 -0.756 . . . . 0.0 111.566 -171.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.98 -37.43 55.16 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.306 1.842 . . . . 0.0 114.205 157.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -55.55 -36.21 66.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.152 1.781 . . . . 0.0 113.505 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -32.69 69.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.711 2.404 . . . . 0.0 113.666 -163.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 9.9 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 127.821 2.448 . . . . 0.0 110.193 -156.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.09 -21.5 39.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.506 1.922 . . . . 0.0 114.075 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.64 -57.95 0.99 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.575 1.15 . . . . 0.0 112.844 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.47 -44.34 84.76 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.953 0.797 . . . . 0.0 112.996 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.41 -33.57 69.8 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.894 -1.129 . . . . 0.0 112.093 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 -39.05 54.66 Favored Glycine 0 C--O 1.22 -0.756 0 C-N-CA 125.076 1.322 . . . . 0.0 111.457 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.261 0.1 OUTLIER -67.7 -43.4 80.17 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.121 1.368 . . . . 0.0 108.459 -174.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.85 -41.78 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 169.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -22.77 67.08 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.344 -0.847 . . . . 0.0 112.238 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 t -101.82 12.28 37.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.767 2.027 . . . . 0.0 113.08 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.0 p -70.65 -18.77 62.85 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 119.96 -1.712 . . . . 0.0 111.962 -163.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 56.34 -3.21 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.298 1 C-N-CA 131.899 4.08 . . . . 0.0 117.067 167.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -154.05 142.45 20.63 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 129.121 2.969 . . . . 0.0 106.373 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.652 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -71.84 -34.96 69.71 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 118.012 -1.475 . . . . 0.0 109.535 172.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.62 -35.08 78.41 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 126.109 1.764 . . . . 0.0 110.773 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -42.04 46.63 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 116.468 1.347 . . . . 0.0 116.468 163.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD11 ' HG ' ' A' ' 61' ' ' LEU . 10.9 tp -58.78 -41.43 86.63 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 119.936 1.868 . . . . 0.0 113.857 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.27 -33.37 73.43 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 129.623 3.169 . . . . 0.0 114.292 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.42 -39.13 62.81 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 111.513 169.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.6 -37.21 83.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.332 1.853 . . . . 0.0 108.956 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -67.98 -45.98 72.62 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.371 1.068 . . . . 0.0 111.574 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.05 77.33 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.001 171.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -32.94 74.43 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.536 -1.352 . . . . 0.0 112.219 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.55 -56.18 25.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.971 1.309 . . . . 0.0 109.571 167.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 mmpt? -59.89 -37.42 79.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.077 -1.015 . . . . 0.0 113.158 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -65.57 -42.13 92.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 129.485 3.114 . . . . 0.0 112.382 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -70.31 -45.9 65.32 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.11 -24.22 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 126.966 2.106 . . . . 0.0 116.428 -162.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.53 -30.77 33.05 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 -11.22 58.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 131.328 3.851 . . . . 0.0 111.514 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 t -148.4 -147.2 0.22 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.273 1.429 . . . . 0.0 111.706 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -138.52 40.52 2.22 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.691 1.996 . . . . 0.0 111.692 -152.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -43.36 110.78 0.21 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.486 1.514 . . . . 0.0 109.309 168.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 166.7 19.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 112.918 -1.946 . . . . 0.0 109.704 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -53.67 -43.64 69.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.118 0.485 . . . . 0.0 112.263 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.355 1.062 . . . . 0.0 113.515 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.73 -47.49 84.98 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.614 ' HB2' HD11 ' A' ' 49' ' ' LEU . 49.5 t0 -62.02 -46.6 88.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.82 -167.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -46.57 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 119.557 -0.857 . . . . 0.0 113.299 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.92 69.05 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.153 0.978 . . . . 0.0 111.918 -171.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -46.1 82.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 113.956 -1.474 . . . . 0.0 113.285 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -68.32 -37.8 80.93 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.381 0.991 . . . . 0.0 110.638 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.43 -30.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.912 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.9 65.93 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 128.964 2.906 . . . . 0.0 115.872 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 24' ' ' ILE . 8.8 tt -67.43 -51.59 49.8 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.24 2.216 . . . . 0.0 109.67 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.65 71.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.837 0.855 . . . . 0.0 112.914 164.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.09 16.06 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 129.335 3.35 . . . . 0.0 109.513 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.251 5.5 tttt -69.81 -34.77 74.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 127.006 2.123 . . . . 0.0 113.369 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt180 -56.12 -49.39 74.03 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -173.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.28 74.0 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.577 -0.702 . . . . 0.0 112.612 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.29 -47.83 69.45 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 123.67 1.7 . . . . 0.0 109.839 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.58 -32.63 73.52 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 112.218 -2.265 . . . . 0.0 115.203 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.6 mt-10 -75.04 -32.03 61.46 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 110.71 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.37 -32.09 70.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.966 159.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -73.5 -36.86 65.82 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 47.12 -13.86 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 1 C-N-CA 133.854 4.862 . . . . 0.0 117.292 -170.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 41.99 -148.77 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.605 2.362 . . . . 0.0 111.817 -171.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.31 132.34 0.11 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.254 2.622 . . . . 0.0 112.344 133.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t 56.55 -52.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 129.346 3.058 . . . . 0.0 116.099 -167.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -149.54 -34.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 128.216 2.606 . . . . 0.0 112.958 -165.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -153.07 -59.43 0.14 Allowed 'General case' 0 C--N 1.347 0.48 0 C-N-CA 126.55 1.94 . . . . 0.0 111.402 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.8 m -165.68 23.78 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.856 1.262 . . . . 0.0 113.896 -166.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.256 1.396 0 C-N-CA 126.015 1.726 . . . . 0.0 114.777 -170.088 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.93 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -69.54 -16.98 63.53 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -149.7 166.83 28.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.2 1.8 . . . . 0.0 112.029 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.08 156.55 14.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.861 1.264 . . . . 0.0 113.006 173.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.5 -29.46 70.73 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.5 tp 60.86 -25.14 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 129.231 3.012 . . . . 0.0 117.004 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -147.92 134.4 19.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.252 2.221 . . . . 0.0 110.36 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -62.13 -28.26 69.51 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -57.93 -31.25 66.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.901 2.08 . . . . 0.0 115.827 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.97 -12.65 61.66 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.632 -1.292 . . . . 0.0 114.139 -167.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -32.93 69.13 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.065 0.459 . . . . 0.0 111.259 171.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -23.39 39.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -90.93 -23.14 20.56 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 125.325 1.45 . . . . 0.0 112.177 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.21 -34.84 59.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.375 1.47 . . . . 0.0 112.782 160.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -36.24 71.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.844 2.058 . . . . 0.0 114.142 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -58.86 -33.44 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 128.072 2.549 . . . . 0.0 113.089 -162.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.4 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.27 6.11 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 C-N-CA 127.425 2.29 . . . . 0.0 110.57 -154.544 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.4 -34.19 74.14 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.77 2.028 . . . . 0.0 113.963 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -138.7 -28.85 0.81 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.036 1.334 . . . . 0.0 114.259 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -47.34 82.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.665 1.986 . . . . 0.0 112.771 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG3' HG13 ' A' ' 17' ' ' ILE . 9.7 mmm -58.35 -33.15 69.23 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 119.905 -1.747 . . . . 0.0 112.019 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -39.04 54.85 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-O 119.47 -0.628 . . . . 0.0 111.717 169.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 1.1 ptmt -65.09 -43.31 92.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 125.004 1.321 . . . . 0.0 107.91 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -71.57 -42.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.191 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.82 66.88 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.124 -0.985 . . . . 0.0 112.218 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.18 12.5 21.84 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.115 2.166 . . . . 0.0 113.87 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.7 p -64.18 -17.64 63.71 Favored 'General case' 0 CA--C 1.554 1.129 0 O-C-N 120.632 -1.292 . . . . 0.0 114.13 -167.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 59.89 -7.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 131.226 3.81 . . . . 0.0 117.444 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -153.98 139.89 18.19 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 126.374 1.87 . . . . 0.0 107.169 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.64 -36.13 75.83 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.833 175.499 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.06 -34.79 78.34 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 126.002 1.721 . . . . 0.0 111.444 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.93 -41.81 47.45 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 116.606 1.402 . . . . 0.0 116.606 162.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.2 tp -58.79 -39.87 82.35 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 119.842 1.821 . . . . 0.0 113.534 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.96 -33.53 75.59 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 129.947 3.299 . . . . 0.0 114.559 168.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.28 -38.73 63.33 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.508 1.123 . . . . 0.0 111.405 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.78 -37.09 83.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.209 1.404 . . . . 0.0 109.957 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -66.91 -43.98 81.95 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 125.016 1.326 . . . . 0.0 112.028 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.5 79.23 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.363 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.5 73.76 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 120.352 -1.468 . . . . 0.0 112.343 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' O ' HG13 ' A' ' 44' ' ' VAL . 13.2 t80 -59.76 -56.32 23.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.289 1.836 . . . . 0.0 108.876 167.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.4 mmpt? -61.15 -36.29 79.39 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.295 -0.878 . . . . 0.0 113.3 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -66.82 -40.78 88.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 129.771 3.228 . . . . 0.0 113.125 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -70.18 -43.42 70.83 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 40' ' ' TYR 0.326 0.7 OUTLIER -73.65 -12.04 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 122.322 2.328 . . . . 0.0 114.418 -155.931 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -25.76 34.78 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.792 2.037 . . . . 0.0 115.644 164.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.86 -21.62 60.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.581 2.753 . . . . 0.0 111.393 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 t -129.69 -118.5 0.23 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.892 1.677 . . . . 0.0 109.284 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.262 4.6 pt-20 -143.14 -26.2 0.59 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 167.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.446 0.0 OUTLIER 38.91 -179.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.201 1.801 . . . . 0.0 115.742 -152.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 168.63 19.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.523 -1.671 . . . . 0.0 109.66 176.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.18 -43.17 74.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.808 0.813 . . . . 0.0 110.461 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -59.76 -32.59 70.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.432 1.493 . . . . 0.0 114.969 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.45 -51.41 14.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.646 0.736 . . . . 0.0 109.127 167.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.18 -46.69 76.48 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.839 -158.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.62 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 121.968 0.89 . . . . 0.0 111.658 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -49.96 68.76 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.99 -167.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -46.05 82.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.625 175.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.72 76.68 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 120.671 1.578 . . . . 0.0 110.88 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.43 -33.06 75.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.292 -0.963 . . . . 0.0 112.845 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -42.16 68.4 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 129.578 3.151 . . . . 0.0 115.655 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 24' ' ' ILE . 8.7 tt -66.45 -51.58 55.39 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.36 2.264 . . . . 0.0 109.749 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.66 68.76 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.25 1.42 . . . . 0.0 112.593 164.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.99 32.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 128.645 3.021 . . . . 0.0 109.006 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -34.61 74.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 126.204 1.802 . . . . 0.0 113.926 172.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.634 ' HG3' HD11 ' A' ' 30' ' ' LEU . 12.0 ttt-85 -56.7 -48.0 78.67 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.579 -1.326 . . . . 0.0 110.433 -171.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.3 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.12 -47.69 70.36 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.003 1.382 . . . . 0.0 109.615 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.659 ' CB ' HD12 ' A' ' 30' ' ' LEU . 13.9 mt -67.53 -33.05 74.27 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 111.953 -2.385 . . . . 0.0 115.485 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.09 -32.85 61.56 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.675 3.19 . . . . 0.0 111.974 174.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -17.58 63.64 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.158 158.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.0 t -105.08 22.67 14.91 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.2 1.0 . . . . 0.0 113.642 172.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.77 -24.58 23.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.29 1.436 . . . . 0.0 112.643 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.79 73.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.061 2.544 . . . . 0.0 112.405 165.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -82.11 169.3 16.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.026 1.73 . . . . 0.0 114.648 -169.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.82 137.37 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.438 1.895 . . . . 0.0 112.929 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 62.47 -32.74 0.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 131.037 3.735 . . . . 0.0 117.542 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -73.46 -30.04 62.92 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.157 1.383 . . . . 0.0 110.771 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.2 p -148.51 8.26 0.79 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 168.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 124.027 0.931 . . . . 0.0 112.467 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 CA-C-O 121.299 0.388 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -73.57 -10.08 59.34 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -57.83 136.93 57.04 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.518 1.127 . . . . 0.0 113.768 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -157.97 162.91 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.17 1.788 . . . . 0.0 111.838 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.85 -45.5 67.62 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.897 0.879 . . . . 0.0 111.994 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -162.38 -38.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 128.446 2.699 . . . . 0.0 109.186 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -134.22 155.62 49.82 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.909 2.084 . . . . 0.0 111.378 165.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.69 -23.65 67.25 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -68.91 -31.23 69.98 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.466 1.906 . . . . 0.0 114.456 -175.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.22 -13.44 60.79 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.135 1.774 . . . . 0.0 114.471 -163.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.83 68.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.7 -22.42 40.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -93.79 -23.98 17.96 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.936 1.694 . . . . 0.0 112.511 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.74 -26.54 54.73 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.622 1.569 . . . . 0.0 113.384 159.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.27 90.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.069 1.747 . . . . 0.0 113.224 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m -58.96 -33.25 70.42 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.838 -1.983 . . . . 0.0 112.863 -154.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.95 3.98 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 C-N-CA 127.133 2.173 . . . . 0.0 111.066 -153.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.87 -31.85 66.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.182 1.793 . . . . 0.0 113.77 -172.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.39 -33.04 0.75 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -48.77 78.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.46 2.304 . . . . 0.0 112.19 -176.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mmm -58.99 -32.77 69.98 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 119.899 -1.751 . . . . 0.0 112.393 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 -38.91 53.33 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 123.556 0.598 . . . . 0.0 111.838 168.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.295 0.4 OUTLIER -63.72 -43.33 96.85 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 120.873 -1.369 . . . . 0.0 109.835 -175.569 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 61' ' ' LEU . 1.9 pt -71.56 -54.75 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 166.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.47 -22.13 61.86 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.068 -1.02 . . . . 0.0 113.104 -172.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.5 t -111.23 12.49 21.76 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.942 2.097 . . . . 0.0 114.114 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.21 -33.02 51.08 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.52 -1.362 . . . . 0.0 114.494 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 76.03 -3.91 2.47 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 128.559 2.744 . . . . 0.0 114.035 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 p -147.48 137.95 23.27 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 125.346 1.458 . . . . 0.0 108.132 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -71.76 -34.94 69.9 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.441 1.591 . . . . 0.0 109.795 176.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.91 -35.39 72.98 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.015 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.68 51.19 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 165.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.509 HD22 HD12 ' A' ' 68' ' ' LEU . 9.3 tp -58.92 -41.75 88.05 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.827 -1.396 . . . . 0.0 112.413 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.0 -32.75 74.64 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 130.189 3.396 . . . . 0.0 114.799 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.68 -43.37 59.53 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.526 1.13 . . . . 0.0 110.521 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -37.15 82.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.324 1.85 . . . . 0.0 110.659 168.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.18 -43.13 99.09 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.941 1.246 . . . . 0.0 111.344 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.77 69.67 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.981 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -33.24 74.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.676 1.58 . . . . 0.0 111.652 -174.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -59.53 -56.28 23.91 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.794 2.038 . . . . 0.0 109.414 170.092 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.1 mmpt? -62.0 -35.8 79.61 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -66.96 -40.19 87.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.568 3.147 . . . . 0.0 112.69 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -70.2 -45.26 66.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.29 1.836 . . . . 0.0 115.116 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 40' ' ' TYR . 3.0 t -46.35 -38.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 128.157 2.583 . . . . 0.0 114.681 -168.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.85 -34.05 30.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.76 -16.32 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 130.06 3.344 . . . . 0.0 112.011 -177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -147.54 -144.13 0.15 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.281 1.433 . . . . 0.0 109.601 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -129.47 58.2 1.63 Allowed 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 125.505 1.522 . . . . 0.0 112.481 -161.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.17 86.72 0.27 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.918 1.342 . . . . 0.0 111.575 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.32 166.21 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.794 -1.548 . . . . 0.0 112.824 156.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.56 -35.02 78.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -61.45 -44.74 96.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.755 2.022 . . . . 0.0 112.655 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -61.05 -47.2 87.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.36 -46.59 89.39 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.359 -163.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.72 78.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 172.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -49.94 68.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.638 1.209 . . . . 0.0 109.655 -172.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -45.92 82.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 C-N-CA 126.645 1.978 . . . . 0.0 113.718 173.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.39 -41.67 97.49 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.2 1.818 . . . . 0.0 112.544 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.75 0.786 . . . . 0.0 110.735 -171.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.83 69.39 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 129.74 3.216 . . . . 0.0 116.758 166.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 24' ' ' ILE 0.252 6.4 tt -70.66 -51.62 26.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 128.027 2.531 . . . . 0.0 110.495 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.58 69.35 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 159.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.19 31.74 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 127.004 2.24 . . . . 0.0 109.349 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 25.8 tptt -69.83 -34.62 73.9 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 127.312 2.245 . . . . 0.0 114.372 173.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -55.99 -47.48 77.62 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 119.972 -1.705 . . . . 0.0 109.609 -168.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.26 76.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.28 -47.77 69.66 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 123.328 1.537 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.707 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.263 15.4 mt -67.34 -32.25 73.07 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 112.205 -2.271 . . . . 0.0 114.719 -177.821 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.2 mt-10 -75.32 -31.64 60.69 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 129.907 3.283 . . . . 0.0 111.975 172.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.21 -11.04 60.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.69 1.196 . . . . 0.0 111.627 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -112.22 24.06 13.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.579 1.552 . . . . 0.0 113.106 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.76 -17.47 56.07 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.257 1.423 . . . . 0.0 114.01 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -126.0 129.47 49.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.708 2.403 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -136.28 128.62 30.14 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -158.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 t 58.08 -56.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 128.614 2.766 . . . . 0.0 114.867 -166.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.63 -40.19 0.2 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 129.106 2.962 . . . . 0.0 112.611 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.28 -55.32 0.09 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.469 2.708 . . . . 0.0 109.897 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.0 p -153.84 162.35 41.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 0.0 110.754 172.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.588 1.155 . . . . 0.0 111.503 178.661 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -135.68 13.25 3.43 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.871 1.268 . . . . 0.0 113.977 -171.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -97.69 -16.06 20.11 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.838 1.255 . . . . 0.0 114.18 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? 55.01 177.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.822 2.049 . . . . 0.0 114.273 -172.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.03 -21.21 59.21 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -166.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -152.26 -50.02 0.11 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.313 1.445 . . . . 0.0 111.929 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -149.44 -52.12 0.15 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.87 1.268 . . . . 0.0 113.146 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -158.22 -61.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.759 0.824 . . . . 0.0 113.014 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.7 -31.38 70.65 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -157.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -72.53 -16.32 61.77 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.521 -1.362 . . . . 0.0 114.266 -160.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -32.91 69.06 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.247 -0.283 . . . . 0.0 111.509 172.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -23.39 37.31 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -95.79 -18.2 20.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.156 1.382 . . . . 0.0 112.401 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.46 -41.07 48.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.663 1.585 . . . . 0.0 111.724 159.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.24 -36.27 41.01 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.007 1.723 . . . . 0.0 114.437 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.76 -32.12 68.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.931 2.492 . . . . 0.0 113.176 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.9 7.87 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 C-N-CA 126.572 1.949 . . . . 0.0 110.734 -155.125 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.91 -30.39 65.32 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.894 1.677 . . . . 0.0 114.419 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -135.22 -39.06 0.76 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 114.058 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.16 -48.88 77.6 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.428 1.891 . . . . 0.0 112.669 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' HG13 ' A' ' 17' ' ' ILE . 14.3 mmm -58.62 -30.19 67.06 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 119.968 -1.708 . . . . 0.0 112.19 176.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.89 -38.91 55.9 Favored Glycine 0 C--O 1.223 -0.591 0 C-N-CA 124.169 0.89 . . . . 0.0 112.01 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 1.4 ptmt -66.06 -43.2 88.11 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.493 1.517 . . . . 0.0 107.932 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 61' ' ' LEU . 8.3 pt -71.62 -41.75 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 118.598 2.814 . . . . 0.0 118.598 163.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.77 66.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.635 -1.916 . . . . 0.0 110.348 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -111.31 12.45 21.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.145 1.778 . . . . 0.0 113.481 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 33' ' ' LEU . 30.6 p -72.14 107.34 4.76 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -175.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 9.21 2.28 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 119.076 -2.265 . . . . 0.0 113.975 -164.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 p -154.14 141.08 19.25 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.92 1.688 . . . . 0.0 108.62 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -72.77 -35.08 67.37 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 123.358 1.552 . . . . 0.0 110.103 172.131 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.69 -35.48 74.57 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 125.759 1.624 . . . . 0.0 111.511 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.78 -42.19 47.06 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 164.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD22 HD12 ' A' ' 68' ' ' LEU . 13.1 tp -58.59 -39.68 81.09 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 120.121 1.96 . . . . 0.0 113.523 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.07 -33.1 75.0 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 130.039 3.335 . . . . 0.0 113.767 170.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.36 -38.71 63.13 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.952 1.301 . . . . 0.0 111.561 168.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.62 -37.35 83.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.065 1.746 . . . . 0.0 108.675 167.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -69.64 -39.85 76.88 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.465 1.506 . . . . 0.0 112.148 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.19 73.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 169.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -32.06 73.34 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.587 -1.32 . . . . 0.0 111.84 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.41 -56.52 21.01 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 126.229 1.812 . . . . 0.0 109.081 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.5 mmpt? -60.3 -37.77 81.57 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.081 -1.012 . . . . 0.0 113.564 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 59.0 mmtt -67.1 -46.38 74.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 128.914 2.886 . . . . 0.0 112.777 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.33 -37.81 74.76 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.33 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 119.182 -2.199 . . . . 0.0 114.975 -165.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 31.6 pttt -72.41 -33.65 67.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.523 1.529 . . . . 0.0 115.05 168.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.89 -21.85 56.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 128.869 2.868 . . . . 0.0 111.154 -170.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -146.22 -134.73 0.08 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.172 -1.376 . . . . 0.0 113.254 -177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.33 45.03 1.97 Allowed 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 112.641 -149.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 54' ' ' ASP . 1.6 tm? -53.1 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 124.079 1.895 . . . . 0.0 109.759 155.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -61.4 170.15 1.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 113.131 -1.85 . . . . 0.0 110.482 155.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.06 -38.49 82.98 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.298 -0.876 . . . . 0.0 112.562 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.9 m -59.45 -48.12 82.85 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 125.314 1.446 . . . . 0.0 113.259 -172.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.76 -47.2 87.39 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 49' ' ' LEU . 25.5 t70 -61.75 -46.51 89.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.827 -166.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.4 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.67 69.97 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.531 1.158 . . . . 0.0 111.899 -172.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.58 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 113.483 -1.689 . . . . 0.0 111.986 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.71 -42.06 95.53 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 119.805 1.184 . . . . 0.0 111.277 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.42 -29.86 70.09 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.591 -0.843 . . . . 0.0 111.364 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.34 -42.51 68.46 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 130.169 3.387 . . . . 0.0 116.459 166.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -70.59 -51.63 26.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.836 2.454 . . . . 0.0 109.588 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.67 68.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 160.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.32 -54.2 37.52 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 127.681 2.562 . . . . 0.0 109.905 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.71 -34.71 74.27 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 127.09 2.156 . . . . 0.0 111.941 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.642 ' HG3' HD11 ' A' ' 30' ' ' LEU . 4.4 ttt-85 -55.68 -46.91 77.52 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 120.671 -1.268 . . . . 0.0 110.071 -172.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -36.7 75.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.23 -47.95 69.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 123.591 1.663 . . . . 0.0 110.499 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.273 15.9 mt -67.53 -32.05 72.57 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 111.627 -2.533 . . . . 0.0 115.491 -177.665 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.6 mt-10 -75.25 -31.5 60.82 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 130.348 3.459 . . . . 0.0 111.918 173.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -28.71 68.92 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.832 158.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -92.61 17.82 9.62 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 124.101 0.875 . . . . 0.0 113.08 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.18 -24.75 63.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.549 1.539 . . . . 0.0 112.929 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -110.17 118.33 36.09 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.8 2.04 . . . . 0.0 109.121 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -79.95 147.05 31.77 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.43 139.55 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.498 1.519 . . . . 0.0 113.065 -174.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 64.0 -16.52 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 130.625 3.57 . . . . 0.0 117.487 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.01 -27.77 64.95 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.691 0.678 . . . . 0.0 109.76 162.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -141.31 154.62 45.81 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.13 2.172 . . . . 0.0 109.696 157.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.3 p90 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 124.869 1.268 . . . . 0.0 112.328 -175.273 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.79 -37.24 56.17 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.574 1.55 . . . . 0.0 113.152 159.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.13 -40.86 59.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.181 1.792 . . . . 0.0 113.551 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.97 -34.76 72.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.148 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -135.36 8.7 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 C-N-CA 126.958 2.103 . . . . 0.0 110.747 -155.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.91 -38.39 79.54 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.425 1.89 . . . . 0.0 113.653 -167.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.43 -27.42 1.56 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.504 1.521 . . . . 0.0 114.084 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -48.42 81.86 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 125.892 1.677 . . . . 0.0 112.769 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.5 mmm -58.44 -30.92 67.29 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 119.908 -1.745 . . . . 0.0 112.266 175.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.89 57.41 Favored Glycine 0 C--O 1.218 -0.9 0 C-N-CA 124.676 1.131 . . . . 0.0 112.112 168.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 1.1 ptmt -69.22 -43.2 74.56 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.974 1.709 . . . . 0.0 108.262 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 61' ' ' LEU . 3.4 pt -69.98 -41.79 79.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.326 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 166.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.81 -22.4 66.61 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.048 1.295 . . . . 0.0 111.938 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -104.64 12.38 33.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.676 1.99 . . . . 0.0 113.069 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.1 p -69.7 -21.57 63.49 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 119.783 -1.823 . . . . 0.0 113.977 -165.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 61.51 -5.93 0.13 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 130.176 3.39 . . . . 0.0 116.831 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -153.83 137.22 15.81 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.727 1.611 . . . . 0.0 107.238 -169.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.667 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.49 -36.55 76.62 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 117.819 -1.553 . . . . 0.0 109.549 175.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.6 -36.84 77.09 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 126.232 1.813 . . . . 0.0 111.466 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -41.7 48.12 Favored Glycine 0 C--O 1.214 -1.145 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 164.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HD12 ' A' ' 68' ' ' LEU . 13.9 tp -58.65 -39.2 79.92 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 119.89 1.845 . . . . 0.0 113.807 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.73 -32.76 74.58 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 129.918 3.287 . . . . 0.0 114.458 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.2 -38.8 63.49 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.756 1.223 . . . . 0.0 111.27 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.58 -37.09 82.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.488 1.515 . . . . 0.0 109.195 167.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.95 -39.42 76.06 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 125.269 1.427 . . . . 0.0 112.228 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.38 78.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.587 170.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -33.84 76.36 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.588 1.085 . . . . 0.0 112.98 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.583 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.8 t80 -59.59 -50.39 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.935 2.094 . . . . 0.0 108.437 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.3 mmpt? -69.35 -34.66 74.92 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -62.66 -43.76 97.99 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.811 2.844 . . . . 0.0 112.461 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -69.14 -47.91 63.82 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.583 1.553 . . . . 0.0 114.763 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 40' ' ' TYR . 19.3 m . . . . . 0 CA--C 1.544 0.714 0 O-C-N 120.142 -1.599 . . . . 0.0 114.775 -149.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.042 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -62.76 -45.3 93.34 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 117.336 -3.353 . . . . 0.0 115.998 154.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -59.7 -48.55 81.24 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.42 1.088 . . . . 0.0 113.272 -161.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -60.85 -44.62 96.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.12 -46.53 77.24 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.102 -163.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.5 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -49.87 68.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.73 1.252 . . . . 0.0 112.055 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -45.97 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 113.059 -1.882 . . . . 0.0 112.835 175.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -65.03 -42.25 94.53 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 119.958 1.254 . . . . 0.0 110.714 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.0 -29.93 70.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.461 -173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.63 -44.68 63.93 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 129.538 3.135 . . . . 0.0 116.614 167.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 HG21 ' A' ' 24' ' ' ILE . 6.1 tt -69.36 -51.65 34.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.426 2.29 . . . . 0.0 110.016 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.65 70.64 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 162.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.91 -55.58 25.06 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 128.157 2.789 . . . . 0.0 109.985 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -69.79 -34.74 74.13 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 127.063 2.145 . . . . 0.0 112.868 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.649 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.6 ttt-85 -56.5 -48.06 77.96 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.808 -1.183 . . . . 0.0 109.752 -172.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.18 75.03 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.25 -47.66 70.07 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 123.483 1.611 . . . . 0.0 110.096 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.667 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.4 mt -67.61 -31.84 72.14 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 111.951 -2.386 . . . . 0.0 115.502 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.32 -31.65 60.68 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 130.232 3.413 . . . . 0.0 111.579 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -66.26 -28.56 68.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.777 157.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -93.54 23.77 4.42 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.488 1.439 0 C-N-CA 127.792 2.437 . . . . 0.0 115.394 -173.165 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.56 -25.83 54.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.343 1.457 . . . . 0.0 114.142 159.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.05 79.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.618 1.967 . . . . 0.0 113.755 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.92 -30.91 68.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.66 2.384 . . . . 0.0 113.71 -160.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.252 0.4 OUTLIER -134.98 13.7 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.928 2.491 . . . . 0.0 110.469 -156.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.51 -17.91 26.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.03 1.732 . . . . 0.0 114.532 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -130.45 -59.6 1.02 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.731 1.213 . . . . 0.0 113.659 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -57.38 -46.54 83.31 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.509 1.124 . . . . 0.0 112.287 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.6 mmm -58.48 -35.92 72.95 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.032 1.333 . . . . 0.0 112.504 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.8 57.04 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 123.861 0.743 . . . . 0.0 111.322 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 0.1 OUTLIER -62.0 -43.26 99.22 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 124.686 1.194 . . . . 0.0 109.518 -178.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' LEU . 10.1 pt -71.44 -42.03 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 167.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.96 -22.17 66.81 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.09 0.859 . . . . 0.0 110.624 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.29 12.5 21.68 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.193 2.197 . . . . 0.0 114.3 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 68' ' ' LEU . 27.8 p -65.39 -19.15 65.82 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 120.238 -1.539 . . . . 0.0 113.995 -169.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 58.97 -6.91 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 131.855 4.062 . . . . 0.0 116.856 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -153.88 139.5 17.88 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 125.855 1.662 . . . . 0.0 107.41 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.04 -35.61 74.43 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 123.352 1.548 . . . . 0.0 109.727 177.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.64 -35.02 76.72 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 126.214 1.806 . . . . 0.0 111.271 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.9 -42.56 44.91 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 118.518 -1.156 . . . . 0.0 115.981 163.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 61' ' ' LEU . 12.1 tp -58.66 -39.32 80.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 120.37 2.085 . . . . 0.0 113.76 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.52 -33.09 74.81 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 129.533 3.133 . . . . 0.0 114.172 169.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.41 -38.68 63.0 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.67 1.188 . . . . 0.0 111.454 168.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.62 -37.21 83.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.483 1.513 . . . . 0.0 110.013 167.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.13 -44.71 79.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.396 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.74 77.63 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.345 170.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.5 73.78 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.496 -1.377 . . . . 0.0 112.291 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.7 -56.14 25.57 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.619 1.567 . . . . 0.0 109.503 167.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.1 mmpt? -59.88 -36.17 76.36 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.946 -1.096 . . . . 0.0 113.67 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.9 -36.89 83.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 129.573 3.149 . . . . 0.0 113.126 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -70.49 -48.52 55.33 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 156.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 119.594 -1.941 . . . . 0.0 115.357 -168.157 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.92 -39.62 92.66 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.462 -0.774 . . . . 0.0 111.959 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.4 m -59.49 -48.45 81.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.056 1.742 . . . . 0.0 113.426 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.85 -45.34 94.88 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -62.05 -46.47 88.99 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 124.083 0.864 . . . . 0.0 111.327 -166.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -46.56 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 122.442 1.115 . . . . 0.0 112.308 -177.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.83 69.35 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.897 -1.501 . . . . 0.0 112.513 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -46.09 82.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 113.746 -1.57 . . . . 0.0 113.523 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.95 -37.29 78.75 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 119.686 1.13 . . . . 0.0 110.57 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.5 -30.0 68.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 112.048 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.75 67.86 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.528 3.131 . . . . 0.0 115.681 167.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 24' ' ' ILE . 4.7 tt -70.6 -51.68 26.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.319 2.248 . . . . 0.0 110.081 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.7 69.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 161.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.4 35.13 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 128.253 2.835 . . . . 0.0 110.159 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -69.67 -34.73 74.38 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 127.269 2.228 . . . . 0.0 112.474 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 9.5 ttt-85 -56.07 -49.47 73.7 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 120.973 -1.08 . . . . 0.0 109.972 -173.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.14 71.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.16 -47.74 70.12 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.302 1.525 . . . . 0.0 110.087 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.661 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.254 16.4 mt -67.49 -32.54 73.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.435 -178.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.0 mt-10 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 129.463 3.105 . . . . 0.0 110.945 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.06 -31.96 69.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.004 159.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -74.51 -33.1 62.71 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.095 1.426 . . . . 0.0 114.206 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 131.435 3.894 . . . . 0.0 114.593 -167.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -76.67 -25.82 54.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.718 1.207 . . . . 0.0 113.634 157.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.18 94.25 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.541 1.536 . . . . 0.0 113.57 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 22.0 m -59.26 -33.02 70.54 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 111.809 -2.45 . . . . 0.0 113.351 -153.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -127.12 2.81 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 127.618 2.367 . . . . 0.0 111.164 -157.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.56 -30.37 65.8 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.0 1.72 . . . . 0.0 113.486 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.3 -41.35 0.89 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.227 1.411 . . . . 0.0 114.255 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -48.97 77.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.185 2.194 . . . . 0.0 112.924 -174.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.403 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.9 mmm -58.51 -30.53 67.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 119.855 -1.778 . . . . 0.0 112.353 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.94 54.17 Favored Glycine 0 C--O 1.221 -0.712 0 C-N-CA 125.077 1.322 . . . . 0.0 111.146 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.281 0.9 OUTLIER -65.74 -43.18 89.74 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.952 1.701 . . . . 0.0 107.914 -173.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 HD12 ' A' ' 61' ' ' LEU . 5.1 pt -71.49 -42.52 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 116.982 2.216 . . . . 0.0 116.982 165.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.24 66.76 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.936 1.243 . . . . 0.0 111.237 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.0 12.44 22.09 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.39 2.276 . . . . 0.0 113.901 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.7 p -63.44 -20.04 65.23 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.57 -5.97 0.05 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 131.246 3.818 . . . . 0.0 117.112 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.92 139.29 17.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.147 1.779 . . . . 0.0 107.533 -168.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.66 -34.49 72.08 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 123.534 1.635 . . . . 0.0 109.699 176.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -61.8 -36.15 80.28 Favored 'General case' 0 N--CA 1.421 -1.91 0 C-N-CA 126.862 2.065 . . . . 0.0 110.923 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.21 46.48 Favored Glycine 0 C--O 1.212 -1.242 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 163.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD22 HD12 ' A' ' 68' ' ' LEU . 13.5 tp -58.81 -38.03 77.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 120.178 1.989 . . . . 0.0 113.604 176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.58 -33.04 74.97 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 129.721 3.208 . . . . 0.0 113.9 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.36 -38.91 63.08 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.588 1.155 . . . . 0.0 111.519 169.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.6 -38.46 87.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.519 1.528 . . . . 0.0 109.652 167.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -65.86 -43.69 87.68 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.184 1.394 . . . . 0.0 112.033 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.7 77.39 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.113 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.24 74.91 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.59 -1.319 . . . . 0.0 111.54 -175.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -59.6 -56.26 24.16 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.354 1.862 . . . . 0.0 109.968 169.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.2 mmpt? -60.59 -37.54 81.71 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -67.1 -42.04 85.25 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.004 2.921 . . . . 0.0 112.085 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -70.37 -44.99 66.95 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' TYR . 4.5 t . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 127.064 2.145 . . . . 0.0 113.686 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.681 0.753 . . . . 0.0 112.778 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.21 -36.44 81.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -62.92 -44.57 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.9 1.68 . . . . 0.0 113.181 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 23.8 t0 -61.39 -47.22 86.81 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.091 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.4 -46.59 89.45 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.408 -162.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -46.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 173.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -49.67 69.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 123.003 1.382 . . . . 0.0 110.401 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -46.02 82.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 112.163 -2.289 . . . . 0.0 114.279 172.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.95 1.705 . . . . 0.0 112.07 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.07 -28.3 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.026 0.917 . . . . 0.0 111.151 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.5 65.35 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 129.299 3.039 . . . . 0.0 116.619 166.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 24' ' ' ILE . 6.3 tt -70.03 -51.54 31.29 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 127.826 2.45 . . . . 0.0 109.789 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.65 69.71 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 161.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.68 -56.29 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 128.202 2.81 . . . . 0.0 110.203 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -69.83 -34.64 73.93 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.245 2.218 . . . . 0.0 113.221 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt-85 -55.95 -48.46 75.72 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.608 -1.308 . . . . 0.0 109.867 -172.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.17 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.1 -47.67 70.49 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 122.978 1.37 . . . . 0.0 109.918 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.1 mt -67.53 -32.56 73.43 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 112.306 -2.225 . . . . 0.0 115.126 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.4 mt-10 -75.12 -32.06 61.29 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 130.124 3.37 . . . . 0.0 111.657 174.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.11 -13.09 61.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.336 1.454 . . . . 0.0 111.9 158.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.9 t -116.1 33.84 5.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.629 1.172 . . . . 0.0 113.886 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.488 1.455 0 C-N-CA 128.391 2.677 . . . . 0.0 116.305 -167.732 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 50' ' ' LYS . 3.4 m-85 . . . . . 0 CA--C 1.554 1.123 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -77.06 -45.88 25.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.559 1.544 . . . . 0.0 113.422 159.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.5 12.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 126.57 1.948 . . . . 0.0 114.656 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -28.08 65.63 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.543 2.737 . . . . 0.0 111.894 -174.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.59 13.22 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 129.004 2.922 . . . . 0.0 111.13 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -99.89 -6.15 27.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.47 1.908 . . . . 0.0 114.48 -175.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.71 -63.57 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.398 1.479 . . . . 0.0 112.791 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -59.45 -44.19 93.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.728 1.211 . . . . 0.0 112.866 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.1 mmm -58.39 -35.29 71.79 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.626 -1.296 . . . . 0.0 113.048 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -38.93 55.01 Favored Glycine 0 C--O 1.216 -0.98 0 C-N-CA 124.097 0.856 . . . . 0.0 111.546 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.258 0.1 OUTLIER -65.03 -43.29 92.88 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.808 1.304 . . . . 0.0 109.118 -175.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 61' ' ' LEU . 1.1 pt -71.33 -41.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 171.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.24 67.49 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.812 -1.18 . . . . 0.0 112.392 174.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -102.35 12.11 37.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.794 2.038 . . . . 0.0 113.149 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.8 p -70.79 -19.4 62.69 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 119.562 -1.961 . . . . 0.0 114.117 -164.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.12 -6.11 0.19 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 130.311 3.445 . . . . 0.0 116.247 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.89 138.28 16.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 125.975 1.71 . . . . 0.0 107.409 -170.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -70.0 -35.6 74.52 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.337 -1.345 . . . . 0.0 109.317 175.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -62.35 -35.47 79.21 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 125.496 1.518 . . . . 0.0 111.459 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -40.82 50.7 Favored Glycine 0 C--O 1.212 -1.271 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 164.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.5 tp -58.68 -40.6 84.03 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 120.241 2.021 . . . . 0.0 113.864 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.17 -33.36 74.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 130.146 3.378 . . . . 0.0 114.411 168.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.3 -40.0 62.55 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.661 1.184 . . . . 0.0 111.427 168.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.58 -37.11 82.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.6 1.56 . . . . 0.0 109.402 168.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.07 -44.94 78.83 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.356 1.062 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.44 70.02 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.278 171.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -32.19 73.36 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 120.805 -1.184 . . . . 0.0 112.766 -176.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -59.31 -56.39 22.64 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.605 1.962 . . . . 0.0 109.37 166.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.5 mmpt? -61.6 -35.8 78.89 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.018 -1.051 . . . . 0.0 113.593 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -66.47 -35.15 79.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.955 3.302 . . . . 0.0 113.029 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -69.69 -44.83 69.64 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 125.001 1.32 . . . . 0.0 113.348 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.47 -40.27 65.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.561 1.172 . . . . 0.0 109.979 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.7 m -60.09 -42.79 95.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.254 0.0 OUTLIER -65.83 -50.47 64.51 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.629 2.013 . . . . 0.0 109.044 165.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.1 -46.55 77.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -154.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -46.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 122.808 1.289 . . . . 0.0 111.913 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -49.57 70.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.395 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -45.8 83.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 113.31 -1.768 . . . . 0.0 112.559 176.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -33.43 74.84 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 121.165 1.802 . . . . 0.0 111.574 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.42 -33.4 75.62 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.86 68.71 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 130.347 3.459 . . . . 0.0 115.182 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 24' ' ' ILE . 6.5 tt -67.82 -51.51 47.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.923 2.089 . . . . 0.0 110.162 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.28 -30.6 68.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.365 162.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.44 36.72 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 128.066 2.746 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -69.7 -34.8 74.4 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 126.115 1.766 . . . . 0.0 114.1 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.9 ttt-85 -55.8 -47.52 76.99 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.469 -1.394 . . . . 0.0 109.973 -170.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.2 76.22 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.23 -47.75 69.85 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.02 1.391 . . . . 0.0 110.118 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.673 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.3 mt -67.66 -31.9 72.2 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 111.855 -2.429 . . . . 0.0 115.515 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 129.741 3.216 . . . . 0.0 111.945 173.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -20.07 63.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.32 1.048 . . . . 0.0 110.974 158.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -104.37 24.64 11.26 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 126.025 1.73 . . . . 0.0 114.412 -171.138 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.95 -37.37 55.42 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.162 1.785 . . . . 0.0 112.631 164.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.41 1.54 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.023 2.529 . . . . 0.0 115.243 172.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -59.04 -32.46 69.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.129 2.572 . . . . 0.0 113.133 -169.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -130.12 5.96 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 127.992 2.517 . . . . 0.0 110.527 -157.311 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.02 -29.51 65.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.27 1.828 . . . . 0.0 114.085 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.29 -38.69 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.239 1.416 . . . . 0.0 114.128 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -47.01 83.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.34 2.256 . . . . 0.0 113.738 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.414 ' HG3' HG13 ' A' ' 17' ' ' ILE . 11.2 mmm -58.44 -31.13 67.47 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 119.687 -1.883 . . . . 0.0 111.887 174.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.16 -39.01 54.05 Favored Glycine 0 C--O 1.224 -0.503 0 C-N-CA 125.094 1.33 . . . . 0.0 112.27 169.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 1.0 OUTLIER -67.62 -43.18 81.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 125.664 1.586 . . . . 0.0 107.754 -173.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.54 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.77 -41.51 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 168.023 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.19 66.95 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.518 -1.364 . . . . 0.0 112.106 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -102.83 12.3 36.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.798 2.439 . . . . 0.0 112.867 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.2 p -69.64 -22.15 63.49 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 120.091 -1.631 . . . . 0.0 113.336 -165.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 61.13 -6.77 0.1 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 131.197 3.799 . . . . 0.0 116.899 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 p -154.01 139.23 17.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 126.131 1.772 . . . . 0.0 107.501 -169.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.24 -36.48 74.52 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.43 -1.708 . . . . 0.0 109.351 175.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -60.94 -37.14 81.33 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 126.196 1.798 . . . . 0.0 111.368 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -40.87 51.05 Favored Glycine 0 C--O 1.213 -1.159 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 164.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD22 HD12 ' A' ' 68' ' ' LEU . 12.6 tp -58.77 -40.32 83.58 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 120.574 2.187 . . . . 0.0 113.422 176.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 129.877 3.271 . . . . 0.0 114.075 169.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.9 -39.33 63.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.583 1.153 . . . . 0.0 111.712 167.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.64 -37.3 83.51 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.113 1.365 . . . . 0.0 109.322 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -68.22 -42.16 80.19 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 125.204 1.401 . . . . 0.0 112.227 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.58 74.83 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.913 169.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -32.38 73.62 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 119.74 1.155 . . . . 0.0 111.546 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.54 -56.36 22.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.052 2.141 . . . . 0.0 108.318 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mmpm? -62.05 -38.51 89.0 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -67.06 -49.27 65.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 128.803 2.841 . . . . 0.0 112.645 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.37 -40.68 73.85 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.467 0.419 0 O-C-N 119.255 -2.153 . . . . 0.0 116.203 -163.368 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -54.35 -41.59 69.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.26 -1.525 . . . . 0.0 111.902 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -59.79 -48.46 81.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.29 -46.08 90.36 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.677 1.58 . . . . 0.0 109.595 174.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -46.44 85.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.223 0.952 . . . . 0.0 111.909 -160.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.54 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.72 70.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 122.635 1.207 . . . . 0.0 111.795 -172.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -45.62 83.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.929 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -64.38 -42.08 96.34 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.108 0.867 . . . . 0.0 111.152 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.25 -29.39 69.62 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.42 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.24 67.19 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 129.435 3.094 . . . . 0.0 116.95 166.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.43 -51.75 33.34 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 127.649 2.38 . . . . 0.0 109.861 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.53 69.03 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.7 -55.43 28.9 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 128.211 2.815 . . . . 0.0 109.803 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.256 5.0 tptt -69.84 -34.58 73.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 126.69 1.996 . . . . 0.0 112.785 175.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 30' ' ' LEU . 7.5 ttt-85 -55.9 -48.11 76.21 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 120.744 -1.223 . . . . 0.0 110.046 -173.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.18 75.29 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -67.27 -47.66 70.02 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 123.303 1.525 . . . . 0.0 110.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.51 -32.38 73.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 112.042 -2.344 . . . . 0.0 115.425 -177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.14 -31.78 61.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 130.114 3.366 . . . . 0.0 111.817 173.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -19.73 63.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.125 158.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -103.78 25.58 9.65 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.086 0.954 . . . . 0.0 113.548 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 125.659 1.584 . . . . 0.0 114.471 -175.286 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.88 -43.28 36.47 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.387 1.475 . . . . 0.0 113.309 156.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.22 -34.57 57.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.642 1.977 . . . . 0.0 113.968 -172.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m -58.95 -31.44 68.7 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.677 2.791 . . . . 0.0 113.297 -170.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.258 0.4 OUTLIER -128.07 16.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 C-N-CA 127.781 2.432 . . . . 0.0 110.468 -161.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -86.44 -24.33 25.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.995 1.718 . . . . 0.0 114.611 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -134.13 -54.2 0.86 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -57.26 -40.77 78.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.815 1.188 . . . . 0.0 112.3 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 mmm -58.63 -36.67 74.45 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.666 1.986 . . . . 0.0 113.313 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.27 -39.02 53.14 Favored Glycine 0 C--O 1.224 -0.501 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -56.14 -48.2 76.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.961 2.104 . . . . 0.0 108.528 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.7 HG21 HD12 ' A' ' 61' ' ' LEU . 9.4 pt -71.69 -46.24 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -21.86 66.51 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.9 t -110.48 12.23 22.95 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 126.969 2.108 . . . . 0.0 113.413 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 68' ' ' LEU . 22.5 p -68.86 -22.07 64.23 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.506 -1.996 . . . . 0.0 113.846 -167.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.63 -3.74 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 130.28 3.432 . . . . 0.0 116.111 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 p -153.88 140.41 18.82 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 126.396 1.879 . . . . 0.0 107.376 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -71.48 -36.25 71.09 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 117.581 -1.647 . . . . 0.0 109.767 175.167 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.44 -36.29 75.65 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 126.27 1.828 . . . . 0.0 111.028 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.17 -41.57 46.58 Favored Glycine 0 C--O 1.214 -1.111 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 165.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 68' ' ' LEU . 11.3 tp -58.8 -38.51 78.76 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.141 1.971 . . . . 0.0 113.851 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 -32.69 74.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 129.769 3.227 . . . . 0.0 114.031 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.48 -41.8 65.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.325 1.05 . . . . 0.0 110.02 168.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.69 -37.19 83.21 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.626 1.57 . . . . 0.0 109.7 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -67.49 -45.07 76.93 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.403 1.081 . . . . 0.0 111.387 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.89 -48.93 76.84 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.162 171.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.05 73.25 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.955 -1.09 . . . . 0.0 111.901 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.54 -56.35 23.06 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.991 2.116 . . . . 0.0 109.023 169.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -60.52 -38.67 85.15 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -66.92 -46.52 74.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 129.54 3.136 . . . . 0.0 112.998 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -70.3 -43.96 69.28 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 119.513 1.051 . . . . 0.0 113.499 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -162.293 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.33 -42.68 78.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 119.766 -1.834 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.96 -43.38 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.845 1.658 . . . . 0.0 115.198 -170.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.584 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.25 -47.31 74.17 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 120.765 1.621 . . . . 0.0 108.79 172.293 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 27.5 t70 -62.03 -46.41 89.3 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.54 1.15 . . . . 0.0 111.81 -153.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -46.3 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.95 1.7 . . . . 0.0 113.965 176.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -49.22 71.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 123.029 1.395 . . . . 0.0 110.136 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -45.9 83.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 112.628 -2.078 . . . . 0.0 110.334 174.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.9 mmt85 -61.04 -35.13 76.09 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 122.092 2.224 . . . . 0.0 113.955 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.01 -34.75 77.09 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.91 64.24 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 129.542 3.137 . . . . 0.0 115.686 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.74 -51.79 25.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.731 2.812 . . . . 0.0 110.425 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.33 -30.69 69.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 160.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.07 -57.0 16.16 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 129.326 3.346 . . . . 0.0 109.258 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -69.77 -34.64 74.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.881 2.072 . . . . 0.0 112.803 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.3 ttt-85 -56.03 -48.94 75.02 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 120.639 -1.288 . . . . 0.0 109.617 -173.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.41 -36.2 73.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.07 -47.73 70.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 123.73 1.728 . . . . 0.0 110.152 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.676 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.26 17.4 mt -67.55 -32.73 73.7 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.325 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.25 -31.44 60.8 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 130.46 3.504 . . . . 0.0 112.137 174.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.27 -28.68 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.079 157.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -91.36 19.05 6.38 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.481 1.115 0 C-N-CA 126.041 1.736 . . . . 0.0 114.243 -170.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.92 -34.13 59.89 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.122 1.769 . . . . 0.0 112.546 160.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.51 73.91 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.362 2.265 . . . . 0.0 114.503 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.01 -28.78 66.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.048 2.139 . . . . 0.0 114.328 -162.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 5.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.731 2.412 . . . . 0.0 110.2 -154.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.42 -31.32 69.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.331 1.853 . . . . 0.0 113.699 -167.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -126.99 -37.55 2.09 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -61.95 -48.91 78.26 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.441 -175.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.5 mmm -58.61 -30.83 67.54 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.163 -1.586 . . . . 0.0 111.957 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.86 54.3 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 124.47 1.033 . . . . 0.0 111.693 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -66.65 -43.26 85.07 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 126.112 1.765 . . . . 0.0 107.797 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 24' ' ' ILE . 5.3 pt -71.5 -41.56 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 166.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -21.87 66.84 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.561 -1.337 . . . . 0.0 110.972 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 p -108.86 12.2 25.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.976 1.31 . . . . 0.0 113.771 173.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.6 p -74.4 105.51 5.58 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 120.939 1.699 . . . . 0.0 106.465 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.39 9.56 2.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.606 -1.934 . . . . 0.0 113.309 -166.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 p -153.99 139.2 17.48 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 125.972 1.709 . . . . 0.0 108.443 -164.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.73 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.99 -34.4 68.86 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 123.87 1.795 . . . . 0.0 109.972 173.078 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -58.78 -37.4 76.23 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.846 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.92 57.06 Favored Glycine 0 C--O 1.216 -1.024 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.495 HD11 ' HG ' ' A' ' 61' ' ' LEU . 46.7 tp -58.59 -44.47 89.84 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.244 -1.151 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.32 -32.77 74.37 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.972 3.309 . . . . 0.0 113.706 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.49 -42.29 68.24 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.524 1.13 . . . . 0.0 110.963 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -37.05 82.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.254 1.422 . . . . 0.0 111.734 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.32 -42.13 98.98 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 125.469 1.508 . . . . 0.0 111.163 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.73 71.76 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.414 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -33.99 76.26 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.26 1.846 . . . . 0.0 111.376 -174.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -59.36 -56.44 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.698 1.599 . . . . 0.0 109.624 169.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.8 mmpt? -62.13 -34.93 77.28 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.823 -1.173 . . . . 0.0 113.442 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -66.94 -40.35 87.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.965 3.306 . . . . 0.0 112.623 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -70.11 -43.44 71.0 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 114.563 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' TYR . 10.9 t . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 127.058 2.143 . . . . 0.0 114.47 -164.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.293 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.56 -43.3 75.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.452 0.644 . . . . 0.0 110.983 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.6 m -59.49 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.569 1.548 . . . . 0.0 113.555 -170.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.2 -45.59 92.69 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.56 -46.66 84.92 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.607 -168.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -46.66 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.76 69.91 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 123.113 1.435 . . . . 0.0 111.759 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -67.97 -45.86 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 CA-C-N 112.999 -1.91 . . . . 0.0 113.115 175.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -62.92 -42.98 99.98 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 119.596 1.089 . . . . 0.0 110.871 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.23 -28.99 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.525 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.28 64.87 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 129.626 3.17 . . . . 0.0 116.906 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' HD11 ' A' ' 33' ' ' LEU . 6.6 tt -70.77 -51.62 25.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 128.669 2.788 . . . . 0.0 110.605 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.7 68.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 159.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.78 -54.9 25.93 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 127.337 2.399 . . . . 0.0 109.749 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.668 2.387 . . . . 0.0 113.205 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.04 -47.47 77.8 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 120.068 1.304 . . . . 0.0 110.279 -170.448 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.38 78.13 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.37 -47.8 69.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.87 1.795 . . . . 0.0 110.422 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.309 16.3 mt -67.71 -32.69 73.5 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 112.17 -2.286 . . . . 0.0 115.5 -176.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.25 -31.42 60.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 130.402 3.481 . . . . 0.0 111.689 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.89 -29.27 68.33 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.336 158.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.7 t -93.9 24.62 4.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 N--CA 1.483 1.193 0 C-N-CA 127.699 2.399 . . . . 0.0 115.687 -168.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.32 -33.73 59.02 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.91 1.284 . . . . 0.0 113.273 155.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.72 80.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.246 1.818 . . . . 0.0 113.151 -169.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 17' ' ' ILE . 4.5 m -58.85 -24.09 61.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.203 2.601 . . . . 0.0 114.41 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 16' ' ' SER . 1.5 mp -128.88 -4.79 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 127.276 2.231 . . . . 0.0 111.857 -165.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.98 -25.21 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.501 1.92 . . . . 0.0 113.612 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.74 -55.91 1.39 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.207 1.403 . . . . 0.0 111.636 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.24 -48.65 78.29 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 118.798 0.726 . . . . 0.0 112.199 -168.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.6 mmm -58.41 -36.89 74.26 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.212 -1.555 . . . . 0.0 112.488 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.94 55.16 Favored Glycine 0 C--O 1.226 -0.399 0 N-CA-C 112.224 -0.35 . . . . 0.0 112.224 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -43.18 99.19 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 124.441 1.097 . . . . 0.0 111.368 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.586 HG21 HD12 ' A' ' 61' ' ' LEU . 2.2 pt -71.66 -54.39 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 169.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.93 62.13 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -110.5 12.53 22.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.675 1.99 . . . . 0.0 113.577 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.36 -31.72 64.06 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.574 -1.329 . . . . 0.0 114.098 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 73.3 -4.04 2.3 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 127.903 2.481 . . . . 0.0 114.742 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -148.04 137.71 22.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 125.062 1.345 . . . . 0.0 108.086 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.41 -34.42 70.34 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-O 123.612 1.672 . . . . 0.0 110.378 177.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.48 -35.55 74.33 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 112.9 -1.954 . . . . 0.0 110.82 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.78 48.02 Favored Glycine 0 C--O 1.216 -1.001 0 N-CA-C 115.906 1.123 . . . . 0.0 115.906 165.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 68' ' ' LEU . 16.2 tp -58.86 -41.27 86.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 119.214 1.507 . . . . 0.0 112.088 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.76 -33.08 75.04 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 130.581 3.553 . . . . 0.0 114.797 170.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.48 -43.01 61.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.889 1.275 . . . . 0.0 110.637 171.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.29 83.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.972 1.709 . . . . 0.0 111.258 167.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -63.29 -44.37 95.22 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 123.776 0.83 . . . . 0.0 110.915 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.9 79.93 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.855 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.02 73.31 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 120.4 -1.438 . . . . 0.0 112.633 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 1.2 t80 -59.4 -56.47 21.67 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.121 1.769 . . . . 0.0 108.332 166.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -36.9 79.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -67.22 -49.28 65.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.359 2.664 . . . . 0.0 111.826 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -70.42 -42.7 71.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 40' ' ' TYR . 2.2 m . . . . . 0 C--O 1.224 -0.281 0 CA-C-N 121.535 1.971 . . . . 0.0 112.169 -172.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -61.06 -35.06 75.93 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -59.5 -42.35 91.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.425 1.49 . . . . 0.0 113.216 -171.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.86 -51.04 71.01 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 11.6 t70 -60.41 -46.14 91.06 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 127.201 2.2 . . . . 0.0 113.675 -165.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -46.19 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.221 1.009 . . . . 0.0 111.312 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.45 -49.91 69.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.945 -171.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -67.66 -45.98 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 CA-C-N 112.571 -2.104 . . . . 0.0 110.394 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -65.06 -37.31 87.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 122.96 2.618 . . . . 0.0 113.332 -177.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.67 -32.61 72.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.73 39.71 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 130.067 3.347 . . . . 0.0 116.637 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HG21 ' A' ' 24' ' ' ILE . 6.9 tt -70.69 -51.65 26.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 129.547 3.139 . . . . 0.0 111.056 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.57 70.51 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 159.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.32 -58.84 8.34 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 127.709 2.576 . . . . 0.0 110.436 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.282 27.2 tptt -69.93 -34.7 73.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 128.229 2.612 . . . . 0.0 114.343 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.02 -46.89 78.66 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.949 -1.719 . . . . 0.0 110.337 -169.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.42 78.35 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.19 -47.59 70.45 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.965 1.364 . . . . 0.0 110.784 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.723 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.29 16.4 mt -67.54 -32.4 73.16 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 112.121 -2.309 . . . . 0.0 114.902 -178.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.9 mt-10 -75.16 -31.86 61.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 129.903 3.281 . . . . 0.0 111.903 173.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -75.21 -10.4 59.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.822 1.649 . . . . 0.0 111.536 160.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.7 t -116.3 33.6 5.46 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.74 1.216 . . . . 0.0 113.56 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.48 1.059 0 C-N-CA 127.493 2.317 . . . . 0.0 115.552 -172.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.77 -35.04 57.97 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.543 1.537 . . . . 0.0 112.612 162.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.56 -36.73 3.15 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.59 2.356 . . . . 0.0 114.552 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.92 -35.65 73.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.544 2.338 . . . . 0.0 112.842 -171.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.3 4.67 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.374 0 C-N-CA 126.923 2.089 . . . . 0.0 111.079 -157.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.15 -27.53 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -173.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -137.31 -36.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.255 1.422 . . . . 0.0 114.236 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -60.15 -47.66 84.99 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 126.965 2.106 . . . . 0.0 113.022 177.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.6 mmm -60.45 -27.6 67.66 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 119.768 -1.833 . . . . 0.0 112.772 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.19 89.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.163 -0.961 . . . . 0.0 112.192 165.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.432 0.0 OUTLIER -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 129.145 2.978 . . . . 0.0 109.151 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG21 ' HB1' ' A' ' 60' ' ' ALA 0.258 43.4 mm -61.0 -54.38 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 126.105 1.762 . . . . 0.0 108.773 172.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -23.24 61.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.789 -166.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -108.42 12.45 26.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.409 2.283 . . . . 0.0 113.622 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.9 p -65.41 -20.26 66.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 120.714 -1.241 . . . . 0.0 112.843 -169.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 56.14 -10.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 132.582 4.353 . . . . 0.0 117.665 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 p -153.98 142.04 20.31 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.471 1.908 . . . . 0.0 107.495 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.36 -35.88 71.3 Favored 'General case' 0 C--O 1.211 -0.962 0 C-N-CA 117.79 -1.564 . . . . 0.0 110.056 177.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.7 -35.58 80.18 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 126.264 1.826 . . . . 0.0 111.581 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.4 46.26 Favored Glycine 0 C--O 1.212 -1.222 0 N-CA-C 116.141 1.216 . . . . 0.0 116.141 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 68' ' ' LEU . 16.3 tp -58.71 -39.65 81.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 120.398 2.099 . . . . 0.0 114.169 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.23 -33.44 74.58 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 129.914 3.286 . . . . 0.0 114.707 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.36 -38.65 63.15 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.693 1.197 . . . . 0.0 111.233 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.68 -37.11 82.9 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.097 1.359 . . . . 0.0 109.812 167.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.93 -44.6 80.23 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 125.281 1.433 . . . . 0.0 111.664 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.62 75.5 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.472 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -33.34 75.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.444 1.475 . . . . 0.0 111.179 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.67 -56.11 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.619 1.968 . . . . 0.0 108.151 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.3 mmpt? -63.2 -37.9 89.06 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -67.05 -46.65 73.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.347 3.059 . . . . 0.0 112.322 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -70.27 -45.1 67.08 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.292 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -159.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.81 -43.15 76.64 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.512 -1.367 . . . . 0.0 110.449 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.1 m -59.7 -45.42 92.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -171.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.1 -48.0 75.23 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.456 1.48 . . . . 0.0 109.035 170.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.85 -46.59 84.3 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.503 1.127 . . . . 0.0 111.458 -157.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -46.49 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.624 -178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -49.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.804 1.287 . . . . 0.0 110.699 -170.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.95 -45.98 82.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 176.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -36.43 79.36 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 120.333 1.424 . . . . 0.0 111.257 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.19 -29.2 69.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.759 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.39 -41.67 69.34 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 131.157 3.783 . . . . 0.0 115.478 166.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tt -65.95 -51.59 57.22 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 124.903 1.281 . . . . 0.0 110.822 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.56 71.49 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.457 -1.701 . . . . 0.0 113.375 166.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.83 -57.33 16.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 128.629 3.014 . . . . 0.0 109.604 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -69.94 -34.6 73.66 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 127.277 2.231 . . . . 0.0 113.537 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.623 ' HG3' HD11 ' A' ' 30' ' ' LEU . 10.1 ttt-85 -55.99 -49.31 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 120.446 -1.409 . . . . 0.0 110.31 -172.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.32 72.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -67.32 -47.68 69.83 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.355 1.55 . . . . 0.0 110.24 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.666 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.5 mt -67.4 -32.74 73.84 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.182 -2.281 . . . . 0.0 115.815 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.1 mt-10 -75.3 -31.67 60.74 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 130.304 3.441 . . . . 0.0 112.053 176.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.75 -26.99 65.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.149 158.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -95.45 23.87 5.62 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 126.783 2.033 . . . . 0.0 114.884 -169.824 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 CA--C 1.549 0.918 0 CA-C-O 120.716 0.293 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -76.89 -38.13 54.15 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 125.965 1.706 . . . . 0.0 113.316 158.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.55 55.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.806 2.042 . . . . 0.0 114.152 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -27.68 65.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 127.783 2.433 . . . . 0.0 113.237 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.65 14.83 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 128.361 2.664 . . . . 0.0 110.998 -163.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -99.05 -7.94 26.04 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 127.212 2.205 . . . . 0.0 114.632 -171.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -130.99 -61.79 0.92 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.599 1.16 . . . . 0.0 112.109 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -57.54 -47.9 80.76 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 124.879 1.272 . . . . 0.0 112.936 -174.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.7 mmm -58.44 -35.78 72.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.259 1.424 . . . . 0.0 112.185 -171.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.01 56.08 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 123.979 0.799 . . . . 0.0 111.804 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.0 OUTLIER -62.71 -43.34 99.06 Favored 'General case' 0 N--CA 1.433 -1.322 0 C-N-CA 125.852 1.661 . . . . 0.0 109.317 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.661 HG21 HD12 ' A' ' 61' ' ' LEU . 8.6 pt -70.17 -44.33 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 168.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.08 65.41 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.617 0.644 . . . . 0.0 111.754 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -105.71 12.34 31.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.889 2.076 . . . . 0.0 113.657 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 68' ' ' LEU . 25.6 p -68.94 -23.74 64.19 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 119.298 -2.127 . . . . 0.0 113.467 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 58.71 -4.99 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.705 3.602 . . . . 0.0 116.566 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.9 p -153.63 139.19 17.79 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.874 1.67 . . . . 0.0 107.172 -169.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -70.03 -35.83 74.62 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.588 176.173 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.07 -35.05 77.46 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 126.335 1.854 . . . . 0.0 111.34 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.94 -43.63 40.28 Favored Glycine 0 C--O 1.211 -1.288 0 CA-C-O 118.436 -1.202 . . . . 0.0 115.756 163.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 68' ' ' LEU . 11.9 tp -58.56 -37.74 76.37 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.494 2.147 . . . . 0.0 113.224 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -32.8 74.59 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 129.837 3.255 . . . . 0.0 114.265 169.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.24 -39.03 63.33 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.434 1.093 . . . . 0.0 110.933 168.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.77 -39.21 90.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.994 1.717 . . . . 0.0 109.575 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -63.77 -45.71 88.54 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 125.17 1.388 . . . . 0.0 110.731 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -48.83 71.8 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.498 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -33.7 75.73 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.687 -1.258 . . . . 0.0 112.001 -175.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -56.51 21.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.736 2.014 . . . . 0.0 109.13 170.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -61.58 -36.47 80.76 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.89 -1.131 . . . . 0.0 113.304 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -66.97 -42.05 85.8 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.929 2.891 . . . . 0.0 113.278 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -70.28 -42.9 71.47 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -161.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -55.94 -44.55 78.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 119.687 -1.883 . . . . 0.0 111.57 174.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.95 -45.21 93.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -168.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.573 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.28 -48.67 72.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.747 1.612 . . . . 0.0 109.044 171.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.3 -46.44 88.75 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 124.292 0.995 . . . . 0.0 111.428 -161.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -46.53 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.69 69.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.603 1.192 . . . . 0.0 111.393 -171.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -45.7 83.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.128 175.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.14 -43.62 98.42 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 119.653 1.115 . . . . 0.0 110.784 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.66 -28.73 68.69 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.809 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -45.78 61.99 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 129.737 3.215 . . . . 0.0 115.821 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.57 -51.79 26.04 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.132 2.573 . . . . 0.0 110.539 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.59 69.87 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 159.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.01 -56.66 17.74 Favored Glycine 0 C--O 1.223 -0.548 0 C-N-CA 128.51 2.957 . . . . 0.0 109.753 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -69.76 -34.61 74.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 128.298 2.639 . . . . 0.0 112.439 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.3 ttt-85 -55.82 -48.8 74.8 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.209 -0.932 . . . . 0.0 109.564 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.17 75.2 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.25 -47.63 70.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 123.566 1.651 . . . . 0.0 109.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.664 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.2 mt -67.6 -32.47 73.22 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.165 -2.289 . . . . 0.0 115.147 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.29 -32.47 61.0 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 130.29 3.436 . . . . 0.0 112.082 173.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.72 -15.19 62.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.845 1.258 . . . . 0.0 110.843 158.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.5 t -108.22 24.33 13.16 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 172.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 125.68 1.592 . . . . 0.0 114.713 -170.659 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 120.574 0.226 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.6 -39.72 64.4 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.94 159.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.85 -39.45 39.11 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.356 1.863 . . . . 0.0 113.94 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' HD12 ' A' ' 17' ' ' ILE . 2.8 m -58.96 -25.26 63.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.019 2.127 . . . . 0.0 114.629 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -116.18 -0.33 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 127.303 2.241 . . . . 0.0 110.924 -173.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.1 -14.93 49.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.703 1.601 . . . . 0.0 113.974 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.15 -72.33 0.69 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.422 1.489 . . . . 0.0 110.952 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.72 -48.66 80.38 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 124.475 1.11 . . . . 0.0 113.633 -167.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 32.6 mmm -58.46 -36.79 74.23 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.587 1.085 . . . . 0.0 113.023 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.09 -38.98 54.63 Favored Glycine 0 C--O 1.223 -0.554 0 CA-C-O 119.436 -0.646 . . . . 0.0 111.956 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.26 0.0 OUTLIER -61.99 -43.26 99.22 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 125.144 1.377 . . . . 0.0 109.688 -178.172 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD12 ' A' ' 61' ' ' LEU . 4.9 pt -70.81 -45.71 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 170.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.08 -21.8 65.25 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 118.758 0.708 . . . . 0.0 111.4 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.5 t -104.81 12.39 32.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.014 2.126 . . . . 0.0 113.453 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.0 p -68.78 -25.27 64.62 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.352 -2.093 . . . . 0.0 113.157 -168.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 57.5 -3.22 0.05 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 131.363 3.865 . . . . 0.0 116.8 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.1 p -153.7 139.73 18.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.956 1.702 . . . . 0.0 107.429 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.16 -36.39 74.69 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.55 1.643 . . . . 0.0 110.018 176.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 113.011 -1.904 . . . . 0.0 111.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -42.7 43.82 Favored Glycine 0 C--O 1.215 -1.078 0 CA-C-O 118.496 -1.169 . . . . 0.0 115.847 162.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HD12 ' A' ' 68' ' ' LEU . 13.7 tp -58.7 -41.0 85.29 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 120.251 2.025 . . . . 0.0 113.962 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.39 -33.79 72.98 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 130.17 3.388 . . . . 0.0 114.624 167.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.19 -39.1 63.4 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.535 1.134 . . . . 0.0 110.962 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.7 mt -61.58 -37.21 83.02 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.87 1.268 . . . . 0.0 110.066 167.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -65.88 -44.91 83.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.556 1.542 . . . . 0.0 111.359 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.98 76.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.704 171.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -32.06 73.18 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.623 -1.298 . . . . 0.0 111.635 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -59.56 -56.4 22.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.298 1.839 . . . . 0.0 108.493 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -60.95 -36.97 80.77 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.591 -1.318 . . . . 0.0 113.292 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -67.04 -46.83 73.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.821 2.848 . . . . 0.0 113.361 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -70.32 -39.12 74.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 170.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.327 -0.395 0 O-C-N 119.509 -1.994 . . . . 0.0 114.215 -166.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.81 -40.98 76.96 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 119.988 -1.695 . . . . 0.0 111.617 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 m -59.44 -45.66 90.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -169.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.581 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.19 -50.51 67.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.038 1.29 . . . . 0.0 108.635 174.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.27 -45.13 94.38 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.931 1.292 . . . . 0.0 113.028 -160.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -46.32 80.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 124.545 1.138 . . . . 0.0 111.982 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -49.77 70.52 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.08 0.943 . . . . 0.0 108.628 -173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.63 -46.01 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-N 112.74 -2.027 . . . . 0.0 111.958 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -69.26 -37.41 77.91 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 122.685 2.493 . . . . 0.0 111.481 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.99 -30.88 70.25 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.939 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.32 -50.26 34.22 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 129.742 3.217 . . . . 0.0 116.468 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 24' ' ' ILE . 4.6 tt -70.75 -51.62 26.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.6 3.56 . . . . 0.0 110.405 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.64 71.73 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 161.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.62 -59.09 6.23 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 128.084 2.754 . . . . 0.0 110.549 170.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.78 -34.7 74.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 128.921 2.889 . . . . 0.0 112.539 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.2 ttt-85 -55.88 -49.62 72.88 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 124.521 1.129 . . . . 0.0 109.619 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.28 75.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.29 -47.74 69.72 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.277 1.513 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.684 ' HB2' HD12 ' A' ' 30' ' ' LEU . 18.0 mt -67.56 -32.18 72.76 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 112.514 -2.13 . . . . 0.0 115.695 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.2 mt-10 -75.17 -31.58 61.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.747 3.619 . . . . 0.0 112.155 174.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.75 -27.47 66.81 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.92 157.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -93.28 21.91 5.62 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 127.518 2.327 . . . . 0.0 115.28 -171.833 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -76.57 -28.81 56.37 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.404 1.482 . . . . 0.0 113.49 158.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -42.83 68.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 113.35 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.537 ' C ' HD12 ' A' ' 17' ' ' ILE . 5.0 m -59.35 -22.12 60.83 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.123 2.169 . . . . 0.0 114.267 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.537 HD12 ' C ' ' A' ' 16' ' ' SER . 1.7 mp -126.06 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.637 2.375 . . . . 0.0 111.634 -168.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.35 -25.05 57.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.991 1.716 . . . . 0.0 113.611 -167.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.7 -54.72 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.624 1.569 . . . . 0.0 112.291 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -57.07 -46.01 82.82 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.282 0.946 . . . . 0.0 113.039 -167.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 mmm -58.31 -39.39 79.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.259 1.424 . . . . 0.0 113.1 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.08 55.86 Favored Glycine 0 C--O 1.221 -0.669 0 O-C-N 121.917 -0.49 . . . . 0.0 112.239 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.301 0.1 OUTLIER -58.98 -43.22 91.36 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 118.322 1.061 . . . . 0.0 111.525 -178.672 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 61' ' ' LEU . 5.2 pt -71.53 -54.48 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 170.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.33 -22.03 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.546 -0.722 . . . . 0.0 111.926 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -111.31 12.53 21.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.92 2.088 . . . . 0.0 114.274 172.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.52 -31.69 66.31 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 120.258 -1.526 . . . . 0.0 113.579 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 69.72 -3.82 1.58 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.278 2.631 . . . . 0.0 114.85 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p -146.19 137.65 24.71 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 125.114 1.366 . . . . 0.0 108.512 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.43 -33.44 69.42 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 123.28 1.514 . . . . 0.0 110.044 178.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.35 -34.54 75.46 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.833 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.85 47.63 Favored Glycine 0 C--O 1.216 -1.028 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 164.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 68' ' ' LEU . 22.0 tp -58.66 -42.78 89.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 119.138 1.469 . . . . 0.0 112.298 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.49 -32.92 74.52 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 130.227 3.411 . . . . 0.0 114.149 170.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.27 -42.39 59.69 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.735 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.21 82.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.216 1.806 . . . . 0.0 110.345 167.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.09 -46.16 88.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 119.361 0.982 . . . . 0.0 110.668 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -46.34 83.73 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.508 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.12 77.6 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.972 1.26 . . . . 0.0 112.387 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -59.59 -56.39 22.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 109.259 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -60.29 -34.68 74.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -49.43 67.13 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 128.191 2.596 . . . . 0.0 111.414 175.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -70.07 -46.04 65.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.424 0 CA-C-N 120.77 1.623 . . . . 0.0 113.11 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.05 -38.69 89.68 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.423 ' HA ' HD11 ' A' ' 55' ' ' ILE . 54.4 m -59.46 -42.49 92.14 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.478 1.511 . . . . 0.0 113.188 -168.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' O ' HG22 ' A' ' 57' ' ' VAL . 8.5 t0 -61.58 -50.76 71.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.31 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.18 -46.23 90.41 Favored 'General case' 0 C--O 1.211 -0.937 0 C-N-CA 128.336 2.655 . . . . 0.0 112.227 -165.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.68 -46.4 79.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 174.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.42 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.59 -49.85 69.52 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 118.545 -1.262 . . . . 0.0 107.662 -172.335 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ASP . 22.9 m -67.86 -46.36 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.113 0 CA-C-N 112.272 -2.24 . . . . 0.0 113.273 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -69.12 -34.25 74.75 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 123.176 2.716 . . . . 0.0 112.864 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.27 -30.57 63.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.332 1.063 . . . . 0.0 111.454 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -46.83 60.21 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 129.676 3.19 . . . . 0.0 116.381 168.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 24' ' ' ILE . 2.3 tt -70.85 -51.72 24.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 129.5 3.12 . . . . 0.0 110.743 -178.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.54 69.85 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 158.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.7 -56.46 20.21 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.705 2.098 . . . . 0.0 109.906 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -69.65 -34.7 74.38 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 129.332 3.053 . . . . 0.0 113.872 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.639 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -55.98 -47.43 77.7 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 119.761 -1.837 . . . . 0.0 110.397 -171.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.38 77.13 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.12 -47.78 70.09 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.976 1.37 . . . . 0.0 111.376 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.278 15.4 mt -67.46 -32.58 73.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.033 -2.349 . . . . 0.0 114.782 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.2 -31.98 61.07 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.544 3.538 . . . . 0.0 111.807 173.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.07 -13.63 61.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.635 1.174 . . . . 0.0 111.088 158.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 68' ' ' LEU . 7.2 t -106.19 21.12 17.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.263 1.025 . . . . 0.0 113.361 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 125.981 1.712 . . . . 0.0 113.578 -178.475 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -76.82 -32.07 57.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.085 1.354 . . . . 0.0 112.802 161.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.36 72.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.047 2.139 . . . . 0.0 114.401 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -30.46 68.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.495 2.318 . . . . 0.0 113.581 -161.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.62 7.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 127.643 2.377 . . . . 0.0 110.413 -154.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.43 -25.78 59.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.761 1.624 . . . . 0.0 114.062 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.5 -44.35 1.0 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.088 1.355 . . . . 0.0 113.707 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -48.87 78.89 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.186 1.395 . . . . 0.0 113.079 -174.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 mmm -58.51 -30.36 66.99 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.095 -1.628 . . . . 0.0 112.146 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.88 -38.95 55.92 Favored Glycine 0 C--O 1.222 -0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 112.023 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.04 -43.17 83.45 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 126.323 1.849 . . . . 0.0 107.984 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.595 HG21 HD12 ' A' ' 61' ' ' LEU . 4.0 pt -71.23 -42.54 74.96 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 167.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -22.52 66.13 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.91 1.232 . . . . 0.0 111.964 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.1 t -102.79 12.46 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.37 2.268 . . . . 0.0 112.974 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.8 p -69.11 -23.55 64.01 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.579 -1.951 . . . . 0.0 113.451 -167.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 59.86 -5.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 131.285 3.834 . . . . 0.0 116.586 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 p -154.02 139.19 17.44 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.779 1.631 . . . . 0.0 107.653 -169.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -69.96 -36.18 75.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 117.481 -1.688 . . . . 0.0 109.214 177.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.64 -35.7 78.68 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.403 -176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.33 51.23 Favored Glycine 0 C--O 1.214 -1.11 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 163.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -59.15 -43.56 92.08 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 120.37 2.085 . . . . 0.0 114.303 175.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.81 -32.96 71.13 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 129.887 3.275 . . . . 0.0 113.956 168.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -41.72 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.815 2.446 . . . . 0.0 109.812 171.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.55 -36.95 82.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.019 2.128 . . . . 0.0 109.536 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -69.54 -44.39 71.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 112.26 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.96 97.21 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.073 171.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -33.9 76.63 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.312 0.645 . . . . 0.0 112.712 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.47 -55.34 35.87 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.485 1.514 . . . . 0.0 108.473 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.1 mmpt? -60.4 -34.96 74.68 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.84 -41.63 87.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.836 2.854 . . . . 0.0 112.623 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -70.17 -46.83 63.83 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 126.18 1.792 . . . . 0.0 114.652 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.32 -0.674 0 C-N-CA 127.028 2.131 . . . . 0.0 116.43 -161.778 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 CA-C-O 120.666 0.269 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -59.38 -40.3 86.1 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.149 -0.969 . . . . 0.0 112.555 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.1 m -59.7 -48.34 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.157 1.383 . . . . 0.0 113.621 -171.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.16 -45.2 94.48 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.97 -46.51 87.39 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.19 -166.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.43 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.533 0.682 . . . . 0.0 112.468 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.71 69.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.13 -171.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.93 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.266 1.426 . . . . 0.0 113.816 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -69.09 -36.88 78.05 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 119.587 1.085 . . . . 0.0 111.193 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.36 -31.35 71.53 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.515 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.81 67.69 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 129.754 3.222 . . . . 0.0 115.966 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -68.89 -51.36 40.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 127.217 2.207 . . . . 0.0 109.248 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.84 70.23 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 162.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.62 26.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 128.45 2.928 . . . . 0.0 109.832 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -69.83 -34.54 73.79 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 127.446 2.298 . . . . 0.0 112.895 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.3 ttt180 -55.86 -48.93 74.67 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 124.41 1.084 . . . . 0.0 109.694 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.14 74.25 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.22 -47.74 69.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 123.098 1.427 . . . . 0.0 110.386 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.662 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.3 mt -67.69 -31.94 72.24 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.337 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mt-10 -75.17 -31.56 61.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 130.346 3.458 . . . . 0.0 112.239 173.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -20.55 64.4 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.201 156.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -101.97 21.61 14.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 174.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 126.826 2.051 . . . . 0.0 115.145 -171.535 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 -25.6 63.57 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.653 2.381 . . . . 0.0 113.681 158.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.09 -26.18 15.07 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.094 1.758 . . . . 0.0 114.145 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 t -58.93 -31.67 68.87 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.524 2.33 . . . . 0.0 112.104 -162.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.64 3.03 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 125.196 1.398 . . . . 0.0 112.768 -153.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.98 -23.29 28.78 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.11 -34.24 1.68 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.83 1.252 . . . . 0.0 114.342 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -47.65 83.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.584 1.954 . . . . 0.0 112.275 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 mmm -58.38 -32.82 68.95 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.063 -1.648 . . . . 0.0 111.717 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.78 -39.0 56.3 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 125.355 1.455 . . . . 0.0 112.397 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -67.98 -43.29 79.29 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.081 1.752 . . . . 0.0 107.995 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.473 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.78 -44.73 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.188 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.02 65.59 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.899 -1.125 . . . . 0.0 112.498 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -102.88 12.51 36.06 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.724 2.01 . . . . 0.0 112.776 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.4 p -71.63 -21.46 61.83 Favored 'General case' 0 CA--C 1.561 1.373 0 O-C-N 119.761 -1.837 . . . . 0.0 112.696 -163.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 58.31 -5.88 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 131.068 3.747 . . . . 0.0 117.516 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.89 138.36 16.79 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 126.501 1.92 . . . . 0.0 107.274 -169.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -68.53 -37.08 79.69 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 117.902 -1.519 . . . . 0.0 109.778 174.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.27 -35.77 78.22 Favored 'General case' 0 N--CA 1.422 -1.872 0 C-N-CA 125.708 1.603 . . . . 0.0 111.245 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.96 -41.81 47.21 Favored Glycine 0 C--O 1.214 -1.134 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 163.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -58.85 -37.62 76.9 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.659 2.23 . . . . 0.0 113.787 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.73 -32.73 74.44 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 129.947 3.299 . . . . 0.0 113.796 169.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.41 -38.19 63.15 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.057 1.343 . . . . 0.0 111.836 167.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.6 -37.25 83.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.41 1.484 . . . . 0.0 109.744 166.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.54 -39.3 74.08 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.636 1.574 . . . . 0.0 112.629 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.36 91.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.553 168.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -32.11 73.14 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.056 -1.027 . . . . 0.0 112.094 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.59 -55.45 34.36 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.816 1.246 . . . . 0.0 108.739 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -59.89 -37.19 78.68 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.017 -1.052 . . . . 0.0 113.164 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -67.0 -33.56 75.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 129.058 2.943 . . . . 0.0 113.431 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -70.36 -45.27 66.41 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.327 -0.41 0 O-C-N 120.368 -1.457 . . . . 0.0 114.655 -163.466 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.554 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.6 -41.34 81.04 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 122.594 1.188 . . . . 0.0 109.498 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.301 19.3 m -59.35 -35.11 73.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.636 2.774 . . . . 0.0 113.532 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.8 -49.71 19.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.284 0.493 . . . . 0.0 110.064 165.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.266 4.9 t0 -64.24 -46.73 82.51 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 117.23 -1.367 . . . . 0.0 111.147 -162.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -46.52 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 123.866 1.793 . . . . 0.0 112.625 -173.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -49.68 70.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 111.317 -2.674 . . . . 0.0 110.163 -166.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -45.84 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 112.615 -2.084 . . . . 0.0 113.274 170.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -59.4 -38.06 79.59 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 121.493 1.951 . . . . 0.0 112.911 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.31 -35.34 79.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.84 62.21 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 129.315 3.046 . . . . 0.0 116.759 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.92 -51.65 31.14 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 127.95 2.5 . . . . 0.0 109.589 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.61 71.36 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 163.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.35 -58.43 9.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 128.832 3.111 . . . . 0.0 109.415 174.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.266 0.4 OUTLIER -69.75 -34.66 74.12 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.315 1.846 . . . . 0.0 113.177 176.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.663 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.0 ttt-85 -55.89 -48.7 75.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.625 -1.297 . . . . 0.0 110.508 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.14 74.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.35 -47.82 69.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 123.566 1.651 . . . . 0.0 109.624 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.5 mt -67.58 -32.17 72.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.248 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.1 -31.55 61.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 129.987 3.315 . . . . 0.0 110.969 175.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -25.63 64.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.827 0.851 . . . . 0.0 110.768 158.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.1 t -93.96 23.38 4.94 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -165.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.33 -45.92 68.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.42 1.088 . . . . 0.0 112.083 155.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.04 57.06 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.482 1.513 . . . . 0.0 113.43 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.25 -25.86 64.41 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.133 2.573 . . . . 0.0 114.54 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mp -118.11 -31.82 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.925 1.69 . . . . 0.0 112.228 -170.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.67 -33.81 56.57 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.035 2.534 . . . . 0.0 115.3 -164.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.25 -40.24 3.95 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.508 1.123 . . . . 0.0 112.861 167.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -48.74 79.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.766 1.226 . . . . 0.0 113.807 -174.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -29.13 69.53 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 119.832 -1.792 . . . . 0.0 112.945 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.08 53.2 Favored Glycine 0 C--O 1.22 -0.777 0 C-N-CA 124.587 1.089 . . . . 0.0 112.259 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -60.38 -43.23 96.79 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 128.009 2.524 . . . . 0.0 109.329 177.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 61' ' ' LEU . 34.8 mm -61.16 -54.66 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.754 1.222 . . . . 0.0 108.824 171.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.92 62.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.726 -164.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -107.62 12.38 27.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 113.525 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' A' ' 68' ' ' LEU . 32.0 p -66.59 -22.19 66.13 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 120.669 -1.269 . . . . 0.0 112.186 -168.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 54.43 -10.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 1 C-N-CA 133.12 4.568 . . . . 0.0 118.264 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.98 142.79 21.01 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 126.769 2.028 . . . . 0.0 107.646 -166.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.681 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.88 -35.89 69.9 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.489 177.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.98 -35.2 79.39 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 125.754 1.622 . . . . 0.0 111.551 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.02 -40.51 51.19 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 117.917 -1.491 . . . . 0.0 115.682 163.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 68' ' ' LEU . 10.3 tp -58.76 -44.17 90.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 120.752 2.276 . . . . 0.0 113.059 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 130.461 3.505 . . . . 0.0 114.917 164.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.09 -37.47 64.18 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.205 1.002 . . . . 0.0 111.918 167.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -37.25 82.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.259 1.024 . . . . 0.0 109.872 166.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.29 -40.1 86.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 126.063 1.745 . . . . 0.0 113.065 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.17 74.68 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.196 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -32.62 73.96 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.848 -1.157 . . . . 0.0 111.354 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.0 t80 -59.33 -56.49 21.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.817 1.647 . . . . 0.0 106.809 172.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mmpm? -59.61 -41.24 89.91 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.522 -0.736 . . . . 0.0 112.348 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -67.09 -35.58 80.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 129.918 3.287 . . . . 0.0 113.664 -175.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.43 -50.54 37.31 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 119.303 0.956 . . . . 0.0 113.139 160.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' TYR . 99.1 t . . . . . 0 C--N 1.323 -0.576 0 O-C-N 120.054 -1.654 . . . . 0.0 114.592 -167.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -62.61 -37.88 87.99 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 120.306 -1.496 . . . . 0.0 113.565 170.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 -43.51 77.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.609 1.564 . . . . 0.0 114.411 -165.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.579 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -60.78 -48.56 81.25 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 172.595 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -60.31 -44.36 95.5 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 122.035 0.922 . . . . 0.0 112.196 -158.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -68.46 -46.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.552 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -49.74 69.83 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.878 1.323 . . . . 0.0 108.512 -173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 53' ' ' ASP . 32.6 m -68.01 -45.93 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.747 0 CA-C-N 112.363 -2.199 . . . . 0.0 116.197 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -69.13 -37.43 78.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.046 1.748 . . . . 0.0 113.261 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.44 -27.2 61.3 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.786 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.27 -44.55 65.03 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 131.476 3.91 . . . . 0.0 115.276 163.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -68.05 -51.59 45.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 121.272 -0.892 . . . . 0.0 109.122 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.25 -30.83 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.199 -1.364 . . . . 0.0 113.965 165.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 -58.38 14.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 128.63 3.014 . . . . 0.0 109.33 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.273 19.0 tptt -69.94 -34.54 73.57 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 126.441 1.896 . . . . 0.0 114.944 172.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.9 ttt-85 -56.04 -48.38 76.11 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 120.146 1.339 . . . . 0.0 109.888 -168.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.33 -47.72 69.66 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 124.07 1.89 . . . . 0.0 110.073 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.681 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.1 mt -67.69 -32.09 72.51 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 111.72 -2.491 . . . . 0.0 115.971 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.8 mt-10 -75.25 -31.55 60.83 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.265 3.426 . . . . 0.0 112.026 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.52 -27.84 67.32 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.845 158.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -93.17 21.13 6.17 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.803 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 CA--C 1.55 0.961 0 C-N-CA 125.556 1.543 . . . . 0.0 113.375 -175.892 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 CA--C 1.552 1.044 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -74.6 -38.16 62.67 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.303 -1.498 . . . . 0.0 111.606 161.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.61 3.06 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.273 2.229 . . . . 0.0 114.12 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 17' ' ' ILE . 3.8 m -58.93 -28.42 66.22 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 128.431 2.693 . . . . 0.0 114.031 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -117.61 -1.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.536 0 C-N-CA 127.613 2.365 . . . . 0.0 111.148 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.14 -21.89 49.64 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.719 2.008 . . . . 0.0 113.742 -166.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -127.49 -59.47 1.22 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 111.599 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -57.17 -48.4 78.83 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -166.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.6 mmm -58.38 -37.46 75.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.743 1.217 . . . . 0.0 113.265 -174.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -39.01 56.59 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 123.424 0.535 . . . . 0.0 112.105 169.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.284 0.0 OUTLIER -61.23 -43.26 99.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.073 1.349 . . . . 0.0 109.847 -177.989 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 61' ' ' LEU . 4.7 pt -71.45 -45.63 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 169.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.91 65.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.53 0.604 . . . . 0.0 111.579 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -108.11 12.49 26.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.954 2.101 . . . . 0.0 113.571 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.551 ' SG ' HD11 ' A' ' 68' ' ' LEU . 28.6 p -69.12 -21.73 64.01 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 119.215 -2.178 . . . . 0.0 114.267 -168.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 60.71 -4.69 0.12 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 130.233 3.413 . . . . 0.0 116.436 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 p -153.91 137.03 15.57 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 125.986 1.714 . . . . 0.0 107.669 -169.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.53 -36.44 76.4 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 122.873 1.321 . . . . 0.0 109.614 175.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.27 -34.93 75.98 Favored 'General case' 0 N--CA 1.425 -1.675 0 C-N-CA 125.728 1.611 . . . . 0.0 111.784 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -42.09 46.24 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.453 163.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 68' ' ' LEU . 13.8 tp -58.76 -42.66 89.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 120.498 2.149 . . . . 0.0 113.531 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.43 -33.14 70.89 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 129.914 3.286 . . . . 0.0 114.55 167.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.45 -38.59 62.95 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.638 1.175 . . . . 0.0 111.481 168.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.1 mt -61.68 -37.2 83.21 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.766 1.226 . . . . 0.0 110.139 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.56 -45.63 78.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 124.975 1.31 . . . . 0.0 111.306 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.59 82.71 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.833 170.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.4 73.55 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.779 -1.201 . . . . 0.0 111.653 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.55 -56.41 22.3 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.905 1.682 . . . . 0.0 108.563 168.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -38.29 81.97 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.976 -1.077 . . . . 0.0 113.565 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -67.23 -41.2 86.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 129.154 2.982 . . . . 0.0 113.311 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -70.46 -38.37 74.44 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 171.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.327 -0.409 0 O-C-N 120.529 -1.357 . . . . 0.0 114.143 -166.489 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -53.45 -44.05 68.58 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.248 1.023 . . . . 0.0 109.867 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -59.49 -41.98 91.06 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.333 1.453 . . . . 0.0 114.278 -170.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.71 -51.14 52.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.822 1.646 . . . . 0.0 108.936 171.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.35 -45.87 91.95 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.432 1.493 . . . . 0.0 113.116 -161.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -46.36 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.945 0.898 . . . . 0.0 111.999 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -49.77 70.44 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.754 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -67.9 -46.08 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 0 CA-C-N 113.01 -1.904 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -69.3 -36.15 76.73 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 122.357 2.344 . . . . 0.0 111.737 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.27 -30.83 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.031 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -49.51 40.45 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 130.075 3.35 . . . . 0.0 116.366 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 HG21 ' A' ' 24' ' ' ILE . 3.1 tt -70.43 -51.65 27.88 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.571 3.548 . . . . 0.0 110.703 -178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -30.48 71.17 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 159.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.19 -57.35 10.27 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 127.906 2.67 . . . . 0.0 110.366 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -34.67 74.09 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 128.652 2.781 . . . . 0.0 113.216 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 3.9 ttt-85 -55.91 -48.8 75.01 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.983 0.913 . . . . 0.0 109.524 -174.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.22 75.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.35 -47.67 69.76 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.708 1.242 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.8 mt -67.61 -33.06 74.23 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 112.179 -2.282 . . . . 0.0 115.647 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.7 mt-10 -75.29 -32.34 60.98 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 130.183 3.393 . . . . 0.0 111.366 173.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -72.64 -11.26 60.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 111.163 159.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -113.02 21.58 15.25 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.121 1.368 . . . . 0.0 113.695 172.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.481 1.097 0 C-N-CA 125.686 1.594 . . . . 0.0 114.753 -167.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.98 -37.43 55.16 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.306 1.842 . . . . 0.0 114.205 157.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.21 66.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.152 1.781 . . . . 0.0 113.505 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -32.69 69.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.711 2.404 . . . . 0.0 113.666 -163.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 9.9 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 127.821 2.448 . . . . 0.0 110.193 -156.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.09 -21.5 39.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.506 1.922 . . . . 0.0 114.075 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.64 -57.95 0.99 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.575 1.15 . . . . 0.0 112.844 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.47 -44.34 84.76 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.953 0.797 . . . . 0.0 112.996 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.41 -33.57 69.8 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.894 -1.129 . . . . 0.0 112.093 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 -39.05 54.66 Favored Glycine 0 C--O 1.22 -0.756 0 C-N-CA 125.076 1.322 . . . . 0.0 111.457 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.261 0.1 OUTLIER -67.7 -43.4 80.17 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.121 1.368 . . . . 0.0 108.459 -174.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.85 -41.78 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 169.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -22.77 67.08 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.344 -0.847 . . . . 0.0 112.238 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 t -101.82 12.28 37.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.767 2.027 . . . . 0.0 113.08 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.0 p -70.65 -18.77 62.85 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 119.96 -1.712 . . . . 0.0 111.962 -163.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 56.34 -3.21 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.298 1 C-N-CA 131.899 4.08 . . . . 0.0 117.067 167.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -154.05 142.45 20.63 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 129.121 2.969 . . . . 0.0 106.373 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.652 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -71.84 -34.96 69.71 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 118.012 -1.475 . . . . 0.0 109.535 172.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.62 -35.08 78.41 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 126.109 1.764 . . . . 0.0 110.773 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -42.04 46.63 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 116.468 1.347 . . . . 0.0 116.468 163.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD11 ' HG ' ' A' ' 61' ' ' LEU . 10.9 tp -58.78 -41.43 86.63 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 119.936 1.868 . . . . 0.0 113.857 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.27 -33.37 73.43 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 129.623 3.169 . . . . 0.0 114.292 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.42 -39.13 62.81 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 111.513 169.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.6 -37.21 83.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.332 1.853 . . . . 0.0 108.956 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -67.98 -45.98 72.62 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.371 1.068 . . . . 0.0 111.574 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.05 77.33 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.001 171.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -32.94 74.43 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.536 -1.352 . . . . 0.0 112.219 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.55 -56.18 25.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.971 1.309 . . . . 0.0 109.571 167.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 mmpt? -59.89 -37.42 79.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.077 -1.015 . . . . 0.0 113.158 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -65.57 -42.13 92.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 129.485 3.114 . . . . 0.0 112.382 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -70.31 -45.9 65.32 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 126.966 2.106 . . . . 0.0 116.428 -162.879 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.305 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -53.67 -43.64 69.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.118 0.485 . . . . 0.0 112.263 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.355 1.062 . . . . 0.0 113.515 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.73 -47.49 84.98 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -62.02 -46.6 88.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.82 -167.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -46.57 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 119.557 -0.857 . . . . 0.0 113.299 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.92 69.05 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.153 0.978 . . . . 0.0 111.918 -171.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -46.1 82.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 113.956 -1.474 . . . . 0.0 113.285 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -68.32 -37.8 80.93 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.381 0.991 . . . . 0.0 110.638 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.43 -30.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.912 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.9 65.93 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 128.964 2.906 . . . . 0.0 115.872 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 24' ' ' ILE . 8.8 tt -67.43 -51.59 49.8 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.24 2.216 . . . . 0.0 109.67 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.65 71.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.837 0.855 . . . . 0.0 112.914 164.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.09 16.06 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 129.335 3.35 . . . . 0.0 109.513 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.251 5.5 tttt -69.81 -34.77 74.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 127.006 2.123 . . . . 0.0 113.369 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt180 -56.12 -49.39 74.03 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -173.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.28 74.0 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.577 -0.702 . . . . 0.0 112.612 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.29 -47.83 69.45 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 123.67 1.7 . . . . 0.0 109.839 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.58 -32.63 73.52 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 112.218 -2.265 . . . . 0.0 115.203 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.6 mt-10 -75.04 -32.03 61.46 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 110.71 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.37 -32.09 70.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.966 159.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -73.5 -36.86 65.82 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.482 1.171 1 C-N-CA 133.854 4.862 . . . . 0.0 117.292 -170.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.21 -34.84 59.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.375 1.47 . . . . 0.0 112.782 160.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -36.24 71.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.844 2.058 . . . . 0.0 114.142 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -58.86 -33.44 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 128.072 2.549 . . . . 0.0 113.089 -162.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.4 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.27 6.11 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 C-N-CA 127.425 2.29 . . . . 0.0 110.57 -154.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.4 -34.19 74.14 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.77 2.028 . . . . 0.0 113.963 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -138.7 -28.85 0.81 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.036 1.334 . . . . 0.0 114.259 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -47.34 82.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.665 1.986 . . . . 0.0 112.771 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG3' HG13 ' A' ' 17' ' ' ILE . 9.7 mmm -58.35 -33.15 69.23 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 119.905 -1.747 . . . . 0.0 112.019 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -39.04 54.85 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-O 119.47 -0.628 . . . . 0.0 111.717 169.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 1.1 ptmt -65.09 -43.31 92.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 125.004 1.321 . . . . 0.0 107.91 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -71.57 -42.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.82 66.88 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.124 -0.985 . . . . 0.0 112.218 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.18 12.5 21.84 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.115 2.166 . . . . 0.0 113.87 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.7 p -64.18 -17.64 63.71 Favored 'General case' 0 CA--C 1.554 1.129 0 O-C-N 120.632 -1.292 . . . . 0.0 114.13 -167.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 59.89 -7.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 131.226 3.81 . . . . 0.0 117.444 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -153.98 139.89 18.19 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 126.374 1.87 . . . . 0.0 107.169 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.64 -36.13 75.83 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.833 175.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.06 -34.79 78.34 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 126.002 1.721 . . . . 0.0 111.444 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.93 -41.81 47.45 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 116.606 1.402 . . . . 0.0 116.606 162.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.2 tp -58.79 -39.87 82.35 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 119.842 1.821 . . . . 0.0 113.534 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.96 -33.53 75.59 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 129.947 3.299 . . . . 0.0 114.559 168.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.28 -38.73 63.33 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.508 1.123 . . . . 0.0 111.405 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.78 -37.09 83.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.209 1.404 . . . . 0.0 109.957 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -66.91 -43.98 81.95 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 125.016 1.326 . . . . 0.0 112.028 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.5 79.23 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.363 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.5 73.76 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 120.352 -1.468 . . . . 0.0 112.343 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' O ' HG13 ' A' ' 44' ' ' VAL . 13.2 t80 -59.76 -56.32 23.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.289 1.836 . . . . 0.0 108.876 167.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.4 mmpt? -61.15 -36.29 79.39 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.295 -0.878 . . . . 0.0 113.3 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -66.82 -40.78 88.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 129.771 3.228 . . . . 0.0 113.125 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -70.18 -43.42 70.83 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 40' ' ' TYR 0.326 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-N 122.322 2.328 . . . . 0.0 114.418 -155.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.18 -43.17 74.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.808 0.813 . . . . 0.0 110.461 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -59.76 -32.59 70.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.432 1.493 . . . . 0.0 114.969 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.45 -51.41 14.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.646 0.736 . . . . 0.0 109.127 167.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.18 -46.69 76.48 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.839 -158.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.62 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 121.968 0.89 . . . . 0.0 111.658 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -49.96 68.76 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.99 -167.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -46.05 82.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.625 175.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.72 76.68 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 120.671 1.578 . . . . 0.0 110.88 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.43 -33.06 75.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.292 -0.963 . . . . 0.0 112.845 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -42.16 68.4 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 129.578 3.151 . . . . 0.0 115.655 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 24' ' ' ILE . 8.7 tt -66.45 -51.58 55.39 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.36 2.264 . . . . 0.0 109.749 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.66 68.76 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.25 1.42 . . . . 0.0 112.593 164.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.99 32.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 128.645 3.021 . . . . 0.0 109.006 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -34.61 74.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 126.204 1.802 . . . . 0.0 113.926 172.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.634 ' HG3' HD11 ' A' ' 30' ' ' LEU . 12.0 ttt-85 -56.7 -48.0 78.67 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.579 -1.326 . . . . 0.0 110.433 -171.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.3 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.12 -47.69 70.36 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.003 1.382 . . . . 0.0 109.615 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.659 ' CB ' HD12 ' A' ' 30' ' ' LEU . 13.9 mt -67.53 -33.05 74.27 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 111.953 -2.385 . . . . 0.0 115.485 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.09 -32.85 61.56 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.675 3.19 . . . . 0.0 111.974 174.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -17.58 63.64 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.158 158.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.0 t -105.08 22.67 14.91 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.2 1.0 . . . . 0.0 113.642 172.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 125.29 1.436 . . . . 0.0 112.643 -176.739 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.74 -26.54 54.73 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.622 1.569 . . . . 0.0 113.384 159.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.27 90.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.069 1.747 . . . . 0.0 113.224 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m -58.96 -33.25 70.42 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.838 -1.983 . . . . 0.0 112.863 -154.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.95 3.98 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 C-N-CA 127.133 2.173 . . . . 0.0 111.066 -153.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.87 -31.85 66.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.182 1.793 . . . . 0.0 113.77 -172.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.39 -33.04 0.75 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -48.77 78.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.46 2.304 . . . . 0.0 112.19 -176.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mmm -58.99 -32.77 69.98 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 119.899 -1.751 . . . . 0.0 112.393 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 -38.91 53.33 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 123.556 0.598 . . . . 0.0 111.838 168.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.295 0.4 OUTLIER -63.72 -43.33 96.85 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 120.873 -1.369 . . . . 0.0 109.835 -175.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 61' ' ' LEU . 1.9 pt -71.56 -54.75 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 166.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.47 -22.13 61.86 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.068 -1.02 . . . . 0.0 113.104 -172.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.5 t -111.23 12.49 21.76 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.942 2.097 . . . . 0.0 114.114 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.21 -33.02 51.08 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.52 -1.362 . . . . 0.0 114.494 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 76.03 -3.91 2.47 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 128.559 2.744 . . . . 0.0 114.035 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 p -147.48 137.95 23.27 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 125.346 1.458 . . . . 0.0 108.132 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -71.76 -34.94 69.9 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.441 1.591 . . . . 0.0 109.795 176.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.91 -35.39 72.98 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.015 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.68 51.19 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 165.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.509 HD22 HD12 ' A' ' 68' ' ' LEU . 9.3 tp -58.92 -41.75 88.05 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.827 -1.396 . . . . 0.0 112.413 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.0 -32.75 74.64 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 130.189 3.396 . . . . 0.0 114.799 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.68 -43.37 59.53 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.526 1.13 . . . . 0.0 110.521 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -37.15 82.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.324 1.85 . . . . 0.0 110.659 168.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.18 -43.13 99.09 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.941 1.246 . . . . 0.0 111.344 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.77 69.67 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.981 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -33.24 74.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.676 1.58 . . . . 0.0 111.652 -174.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -59.53 -56.28 23.91 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.794 2.038 . . . . 0.0 109.414 170.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.1 mmpt? -62.0 -35.8 79.61 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -66.96 -40.19 87.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.568 3.147 . . . . 0.0 112.69 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -70.2 -45.26 66.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.29 1.836 . . . . 0.0 115.116 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 40' ' ' TYR . 3.0 t . . . . . 0 C--N 1.33 -0.279 0 C-N-CA 128.157 2.583 . . . . 0.0 114.681 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 122.006 0.908 . . . . 0.0 112.824 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.56 -35.02 78.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -61.45 -44.74 96.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.755 2.022 . . . . 0.0 112.655 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -61.05 -47.2 87.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.36 -46.59 89.39 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.359 -163.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.72 78.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 172.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -49.94 68.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.638 1.209 . . . . 0.0 109.655 -172.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -45.92 82.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 C-N-CA 126.645 1.978 . . . . 0.0 113.718 173.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.39 -41.67 97.49 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.2 1.818 . . . . 0.0 112.544 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.75 0.786 . . . . 0.0 110.735 -171.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.83 69.39 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 129.74 3.216 . . . . 0.0 116.758 166.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 24' ' ' ILE 0.252 6.4 tt -70.66 -51.62 26.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 128.027 2.531 . . . . 0.0 110.495 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.58 69.35 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 159.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.19 31.74 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 127.004 2.24 . . . . 0.0 109.349 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 25.8 tptt -69.83 -34.62 73.9 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 127.312 2.245 . . . . 0.0 114.372 173.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -55.99 -47.48 77.62 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 119.972 -1.705 . . . . 0.0 109.609 -168.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.26 76.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.28 -47.77 69.66 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 123.328 1.537 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.707 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.263 15.4 mt -67.34 -32.25 73.07 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 112.205 -2.271 . . . . 0.0 114.719 -177.821 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.2 mt-10 -75.32 -31.64 60.69 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 129.907 3.283 . . . . 0.0 111.975 172.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.21 -11.04 60.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.69 1.196 . . . . 0.0 111.627 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -112.22 24.06 13.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.579 1.552 . . . . 0.0 113.106 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.55 0.946 0 C-N-CA 125.257 1.423 . . . . 0.0 114.01 -172.128 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.46 -41.07 48.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.663 1.585 . . . . 0.0 111.724 159.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.24 -36.27 41.01 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.007 1.723 . . . . 0.0 114.437 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.76 -32.12 68.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.931 2.492 . . . . 0.0 113.176 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.9 7.87 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 C-N-CA 126.572 1.949 . . . . 0.0 110.734 -155.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.91 -30.39 65.32 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.894 1.677 . . . . 0.0 114.419 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -135.22 -39.06 0.76 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 114.058 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.16 -48.88 77.6 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.428 1.891 . . . . 0.0 112.669 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' HG13 ' A' ' 17' ' ' ILE . 14.3 mmm -58.62 -30.19 67.06 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 119.968 -1.708 . . . . 0.0 112.19 176.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.89 -38.91 55.9 Favored Glycine 0 C--O 1.223 -0.591 0 C-N-CA 124.169 0.89 . . . . 0.0 112.01 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 1.4 ptmt -66.06 -43.2 88.11 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.493 1.517 . . . . 0.0 107.932 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 61' ' ' LEU . 8.3 pt -71.62 -41.75 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 118.598 2.814 . . . . 0.0 118.598 163.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.77 66.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.635 -1.916 . . . . 0.0 110.348 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -111.31 12.45 21.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.145 1.778 . . . . 0.0 113.481 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 33' ' ' LEU . 30.6 p -72.14 107.34 4.76 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -175.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 9.21 2.28 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 119.076 -2.265 . . . . 0.0 113.975 -164.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 p -154.14 141.08 19.25 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.92 1.688 . . . . 0.0 108.62 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -72.77 -35.08 67.37 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 123.358 1.552 . . . . 0.0 110.103 172.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.69 -35.48 74.57 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 125.759 1.624 . . . . 0.0 111.511 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.78 -42.19 47.06 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 164.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD22 HD12 ' A' ' 68' ' ' LEU . 13.1 tp -58.59 -39.68 81.09 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 120.121 1.96 . . . . 0.0 113.523 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.07 -33.1 75.0 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 130.039 3.335 . . . . 0.0 113.767 170.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.36 -38.71 63.13 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.952 1.301 . . . . 0.0 111.561 168.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.62 -37.35 83.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.065 1.746 . . . . 0.0 108.675 167.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -69.64 -39.85 76.88 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.465 1.506 . . . . 0.0 112.148 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.19 73.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 169.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -32.06 73.34 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.587 -1.32 . . . . 0.0 111.84 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.41 -56.52 21.01 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 126.229 1.812 . . . . 0.0 109.081 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.5 mmpt? -60.3 -37.77 81.57 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.081 -1.012 . . . . 0.0 113.564 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.1 -46.38 74.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 128.914 2.886 . . . . 0.0 112.777 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.33 -37.81 74.76 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.323 -0.552 0 O-C-N 119.182 -2.199 . . . . 0.0 114.975 -165.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.773 0.321 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.06 -38.49 82.98 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.298 -0.876 . . . . 0.0 112.562 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.9 m -59.45 -48.12 82.85 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 125.314 1.446 . . . . 0.0 113.259 -172.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.76 -47.2 87.39 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.75 -46.51 89.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.827 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.4 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.67 69.97 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.531 1.158 . . . . 0.0 111.899 -172.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.58 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 113.483 -1.689 . . . . 0.0 111.986 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.71 -42.06 95.53 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 119.805 1.184 . . . . 0.0 111.277 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.42 -29.86 70.09 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.591 -0.843 . . . . 0.0 111.364 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.34 -42.51 68.46 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 130.169 3.387 . . . . 0.0 116.459 166.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -70.59 -51.63 26.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.836 2.454 . . . . 0.0 109.588 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.67 68.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 160.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.32 -54.2 37.52 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 127.681 2.562 . . . . 0.0 109.905 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.71 -34.71 74.27 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 127.09 2.156 . . . . 0.0 111.941 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.642 ' HG3' HD11 ' A' ' 30' ' ' LEU . 4.4 ttt-85 -55.68 -46.91 77.52 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 120.671 -1.268 . . . . 0.0 110.071 -172.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -36.7 75.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.23 -47.95 69.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 123.591 1.663 . . . . 0.0 110.499 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.273 15.9 mt -67.53 -32.05 72.57 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 111.627 -2.533 . . . . 0.0 115.491 -177.665 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.6 mt-10 -75.25 -31.5 60.82 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 130.348 3.459 . . . . 0.0 111.918 173.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -28.71 68.92 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.832 158.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -92.61 17.82 9.62 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 124.101 0.875 . . . . 0.0 113.08 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.479 0.977 0 C-N-CA 125.549 1.539 . . . . 0.0 112.929 -175.19 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 112.404 -0.278 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -59.93 146.18 43.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.58 1.152 . . . . 0.0 113.976 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -154.04 169.06 24.41 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.708 1.603 . . . . 0.0 111.492 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -54.46 135.31 45.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.75 1.22 . . . . 0.0 112.61 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -79.13 -11.11 59.97 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp 63.44 -21.04 0.06 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.462 3.105 . . . . 0.0 117.703 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.67 17.69 5.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.318 1.847 . . . . 0.0 113.487 -173.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.77 166.15 25.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.988 1.715 . . . . 0.0 112.921 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.99 -31.24 50.56 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.43 -41.48 89.12 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.593 -1.317 . . . . 0.0 114.157 -145.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -67.15 -32.83 74.2 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.681 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.3 mp -74.63 -36.32 62.9 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.974 0.91 . . . . 0.0 112.482 171.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.78 -20.63 45.79 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.66 -0.65 . . . . 0.0 111.576 -170.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -76.79 -37.24 56.17 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.574 1.55 . . . . 0.0 113.152 159.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -51.13 -40.86 59.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.181 1.792 . . . . 0.0 113.551 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -58.97 -34.76 72.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.148 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -135.36 8.7 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 C-N-CA 126.958 2.103 . . . . 0.0 110.747 -155.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.91 -38.39 79.54 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.425 1.89 . . . . 0.0 113.653 -167.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.43 -27.42 1.56 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.504 1.521 . . . . 0.0 114.084 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -48.42 81.86 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 125.892 1.677 . . . . 0.0 112.769 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.5 mmm -58.44 -30.92 67.29 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 119.908 -1.745 . . . . 0.0 112.266 175.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.89 57.41 Favored Glycine 0 C--O 1.218 -0.9 0 C-N-CA 124.676 1.131 . . . . 0.0 112.112 168.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 1.1 ptmt -69.22 -43.2 74.56 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.974 1.709 . . . . 0.0 108.262 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 61' ' ' LEU . 3.4 pt -69.98 -41.79 79.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.326 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 166.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.81 -22.4 66.61 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.048 1.295 . . . . 0.0 111.938 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -104.64 12.38 33.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.676 1.99 . . . . 0.0 113.069 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.1 p -69.7 -21.57 63.49 Favored 'General case' 0 CA--C 1.556 1.211 0 O-C-N 119.783 -1.823 . . . . 0.0 113.977 -165.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 61.51 -5.93 0.13 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 130.176 3.39 . . . . 0.0 116.831 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -153.83 137.22 15.81 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.727 1.611 . . . . 0.0 107.238 -169.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.667 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.49 -36.55 76.62 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 117.819 -1.553 . . . . 0.0 109.549 175.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.6 -36.84 77.09 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 126.232 1.813 . . . . 0.0 111.466 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -41.7 48.12 Favored Glycine 0 C--O 1.214 -1.145 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 164.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HD12 ' A' ' 68' ' ' LEU . 13.9 tp -58.65 -39.2 79.92 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 119.89 1.845 . . . . 0.0 113.807 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.73 -32.76 74.58 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 129.918 3.287 . . . . 0.0 114.458 169.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.2 -38.8 63.49 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.756 1.223 . . . . 0.0 111.27 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.58 -37.09 82.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.488 1.515 . . . . 0.0 109.195 167.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.95 -39.42 76.06 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 125.269 1.427 . . . . 0.0 112.228 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.38 78.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.587 170.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -33.84 76.36 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.588 1.085 . . . . 0.0 112.98 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.8 t80 -59.59 -50.39 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.935 2.094 . . . . 0.0 108.437 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.3 mmpt? -69.35 -34.66 74.92 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -62.66 -43.76 97.99 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.811 2.844 . . . . 0.0 112.461 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -69.14 -47.91 63.82 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.583 1.553 . . . . 0.0 114.763 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 40' ' ' TYR . 19.3 m -80.73 -2.72 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 O-C-N 120.142 -1.599 . . . . 0.0 114.775 -149.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.95 -31.43 31.26 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.784 2.034 . . . . 0.0 115.361 161.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -74.24 -13.43 60.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 130.699 3.6 . . . . 0.0 112.274 175.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -144.21 -143.81 0.15 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.908 2.483 . . . . 0.0 109.143 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.58 -40.25 1.42 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -165.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 53' ' ' ASP 0.409 0.0 OUTLIER 53.84 2.97 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 129.932 3.293 . . . . 0.0 117.846 178.96 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER 39.71 -165.17 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.861 2.064 . . . . 0.0 113.841 -178.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -62.76 -45.3 93.34 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 117.336 -3.353 . . . . 0.0 115.998 154.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -59.7 -48.55 81.24 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.42 1.088 . . . . 0.0 113.272 -161.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' HB3' HD22 ' A' ' 49' ' ' LEU . 42.0 t0 -60.85 -44.62 96.73 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.12 -46.53 77.24 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.102 -163.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.5 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -49.87 68.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 122.73 1.252 . . . . 0.0 112.055 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -45.97 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 113.059 -1.882 . . . . 0.0 112.835 175.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -65.03 -42.25 94.53 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 119.958 1.254 . . . . 0.0 110.714 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.0 -29.93 70.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.461 -173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.63 -44.68 63.93 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 129.538 3.135 . . . . 0.0 116.614 167.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 HG21 ' A' ' 24' ' ' ILE . 6.1 tt -69.36 -51.65 34.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.426 2.29 . . . . 0.0 110.016 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.65 70.64 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 162.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.91 -55.58 25.06 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 128.157 2.789 . . . . 0.0 109.985 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -69.79 -34.74 74.13 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 127.063 2.145 . . . . 0.0 112.868 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.649 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.6 ttt-85 -56.5 -48.06 77.96 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.808 -1.183 . . . . 0.0 109.752 -172.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.18 75.03 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.25 -47.66 70.07 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 123.483 1.611 . . . . 0.0 110.096 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.667 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.4 mt -67.61 -31.84 72.14 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 111.951 -2.386 . . . . 0.0 115.502 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.32 -31.65 60.68 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 130.232 3.413 . . . . 0.0 111.579 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -66.26 -28.56 68.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.777 157.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -93.54 23.77 4.42 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.66 -11.45 2.14 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 127.792 2.437 . . . . 0.0 115.394 -173.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.91 52.48 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.041 1 C-N-CA 131.85 4.06 . . . . 0.0 115.509 171.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -103.79 172.44 6.81 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.416 2.686 . . . . 0.0 113.544 -171.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.8 t -49.26 139.69 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.761 1.624 . . . . 0.0 114.04 -172.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 60.18 -35.56 0.08 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 130.831 3.652 . . . . 0.0 117.546 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.76 -26.25 68.55 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.531 1.132 . . . . 0.0 111.526 163.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.2 p -148.05 11.48 0.94 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 169.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.89 2.076 . . . . 0.0 114.093 -175.07 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.966 0 N-CA-C 112.339 -0.304 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -133.42 4.7 3.7 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -170.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -69.26 -23.41 63.84 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.7 -1.25 . . . . 0.0 112.98 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.1 mmt 56.74 -169.33 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.648 1.979 . . . . 0.0 114.012 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.08 -6.93 14.68 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -32.89 110.83 0.09 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.488 2.315 . . . . 0.0 114.865 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 63.48 4.37 1.74 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 127.767 2.427 . . . . 0.0 116.787 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.46 149.89 25.08 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.476 1.035 . . . . 0.0 113.314 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -63.22 -31.11 72.18 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.171 2.188 . . . . 0.0 116.105 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -70.78 -18.53 62.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.499 1.92 . . . . 0.0 113.944 -159.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -32.72 68.85 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.831 0.452 . . . . 0.0 110.926 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -22.25 58.77 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -102.57 -22.95 13.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 126.337 1.855 . . . . 0.0 112.388 -169.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.56 -25.83 54.45 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.343 1.457 . . . . 0.0 114.142 159.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.05 79.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.618 1.967 . . . . 0.0 113.755 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.92 -30.91 68.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.66 2.384 . . . . 0.0 113.71 -160.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.252 0.4 OUTLIER -134.98 13.7 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.928 2.491 . . . . 0.0 110.469 -156.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.51 -17.91 26.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.03 1.732 . . . . 0.0 114.532 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -130.45 -59.6 1.02 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.731 1.213 . . . . 0.0 113.659 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -57.38 -46.54 83.31 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.509 1.124 . . . . 0.0 112.287 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.6 mmm -58.48 -35.92 72.95 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.032 1.333 . . . . 0.0 112.504 -174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.8 57.04 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 123.861 0.743 . . . . 0.0 111.322 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 0.1 OUTLIER -62.0 -43.26 99.22 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 124.686 1.194 . . . . 0.0 109.518 -178.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 61' ' ' LEU . 10.1 pt -71.44 -42.03 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 167.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.96 -22.17 66.81 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.09 0.859 . . . . 0.0 110.624 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.29 12.5 21.68 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.193 2.197 . . . . 0.0 114.3 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 68' ' ' LEU . 27.8 p -65.39 -19.15 65.82 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 120.238 -1.539 . . . . 0.0 113.995 -169.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 58.97 -6.91 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 131.855 4.062 . . . . 0.0 116.856 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -153.88 139.5 17.88 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 125.855 1.662 . . . . 0.0 107.41 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.04 -35.61 74.43 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 123.352 1.548 . . . . 0.0 109.727 177.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.64 -35.02 76.72 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 126.214 1.806 . . . . 0.0 111.271 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.9 -42.56 44.91 Favored Glycine 0 C--O 1.211 -1.327 0 CA-C-O 118.518 -1.156 . . . . 0.0 115.981 163.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 61' ' ' LEU . 12.1 tp -58.66 -39.32 80.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 120.37 2.085 . . . . 0.0 113.76 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.52 -33.09 74.81 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 129.533 3.133 . . . . 0.0 114.172 169.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.41 -38.68 63.0 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.67 1.188 . . . . 0.0 111.454 168.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.62 -37.21 83.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.483 1.513 . . . . 0.0 110.013 167.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -67.13 -44.71 79.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.396 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.74 77.63 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.345 170.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.5 73.78 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 120.496 -1.377 . . . . 0.0 112.291 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.7 -56.14 25.57 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.619 1.567 . . . . 0.0 109.503 167.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.1 mmpt? -59.88 -36.17 76.36 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.946 -1.096 . . . . 0.0 113.67 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.9 -36.89 83.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 129.573 3.149 . . . . 0.0 113.126 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -70.49 -48.52 55.33 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 156.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.93 -13.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 119.594 -1.941 . . . . 0.0 115.357 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -68.1 -29.87 68.91 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 163.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.79 -16.08 17.43 Favored 'General case' 0 N--CA 1.482 1.168 1 C-N-CA 132.994 4.517 . . . . 0.0 113.154 178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 t 48.54 114.45 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 N-CA-C 119.289 3.07 . . . . 0.0 119.289 152.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -126.9 12.24 7.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.748 140.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 54' ' ' ASP . 3.2 tm? -67.02 85.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 127.652 2.381 . . . . 0.0 111.185 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -52.64 168.94 0.1 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.214 154.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.92 -39.62 92.66 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.462 -0.774 . . . . 0.0 111.959 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.4 m -59.49 -48.45 81.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.056 1.742 . . . . 0.0 113.426 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.85 -45.34 94.88 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' HB2' HD11 ' A' ' 49' ' ' LEU . 48.6 t0 -62.05 -46.47 88.99 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 124.083 0.864 . . . . 0.0 111.327 -166.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -46.56 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 122.442 1.115 . . . . 0.0 112.308 -177.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.83 69.35 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.897 -1.501 . . . . 0.0 112.513 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -46.09 82.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 113.746 -1.57 . . . . 0.0 113.523 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -68.95 -37.29 78.75 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 119.686 1.13 . . . . 0.0 110.57 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.5 -30.0 68.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 112.048 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.75 67.86 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 129.528 3.131 . . . . 0.0 115.681 167.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 24' ' ' ILE . 4.7 tt -70.6 -51.68 26.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.319 2.248 . . . . 0.0 110.081 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.7 69.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 161.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.4 35.13 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 128.253 2.835 . . . . 0.0 110.159 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -69.67 -34.73 74.38 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 127.269 2.228 . . . . 0.0 112.474 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 9.5 ttt-85 -56.07 -49.47 73.7 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 120.973 -1.08 . . . . 0.0 109.972 -173.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.14 71.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.16 -47.74 70.12 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.302 1.525 . . . . 0.0 110.087 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.661 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.254 16.4 mt -67.49 -32.54 73.44 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.267 -2.242 . . . . 0.0 115.435 -178.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.0 mt-10 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 129.463 3.105 . . . . 0.0 110.945 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.06 -31.96 69.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.004 159.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -74.51 -33.1 62.71 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.095 1.426 . . . . 0.0 114.206 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 t70 42.15 18.59 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 131.435 3.894 . . . . 0.0 114.593 -167.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -69.53 147.03 51.37 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.575 1.15 . . . . 0.0 113.615 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -138.08 160.37 39.55 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.043 2.137 . . . . 0.0 112.095 -164.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.05 3.61 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -160.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -152.78 -28.61 0.15 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -156.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.7 -34.77 65.0 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.959 0.8 . . . . 0.0 110.629 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -143.81 7.88 1.47 Allowed 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.257 1.455 0 C-N-CA 124.56 1.144 . . . . 0.0 112.997 -174.715 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 62.43 -21.93 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -137.14 3.63 2.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.99 1.316 . . . . 0.0 114.404 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -83.89 158.17 21.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.292 1.037 . . . . 0.0 113.298 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.91 -25.14 66.54 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.93 -14.25 32.76 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.078 1.351 . . . . 0.0 113.694 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -63.22 -12.8 31.31 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.389 1.475 . . . . 0.0 114.239 170.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -135.88 154.61 51.1 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.619 1.567 . . . . 0.0 112.236 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -72.15 -31.42 65.95 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.246 1.418 . . . . 0.0 114.385 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -65.01 -17.29 64.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.263 1.825 . . . . 0.0 114.983 -165.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -32.78 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.292 0.091 . . . . 0.0 111.054 172.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.21 -22.2 45.23 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -93.4 -22.35 18.97 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 126.235 1.814 . . . . 0.0 113.25 -175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -76.67 -25.82 54.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.718 1.207 . . . . 0.0 113.634 157.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.18 94.25 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.541 1.536 . . . . 0.0 113.57 -168.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 22.0 m -59.26 -33.02 70.54 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 111.809 -2.45 . . . . 0.0 113.351 -153.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -127.12 2.81 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 127.618 2.367 . . . . 0.0 111.164 -157.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.56 -30.37 65.8 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.0 1.72 . . . . 0.0 113.486 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.3 -41.35 0.89 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.227 1.411 . . . . 0.0 114.255 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -48.97 77.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.185 2.194 . . . . 0.0 112.924 -174.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.403 ' HG3' HG13 ' A' ' 17' ' ' ILE . 12.9 mmm -58.51 -30.53 67.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 119.855 -1.778 . . . . 0.0 112.353 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.94 54.17 Favored Glycine 0 C--O 1.221 -0.712 0 C-N-CA 125.077 1.322 . . . . 0.0 111.146 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.281 0.9 OUTLIER -65.74 -43.18 89.74 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.952 1.701 . . . . 0.0 107.914 -173.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.631 HG21 HD12 ' A' ' 61' ' ' LEU . 5.1 pt -71.49 -42.52 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 116.982 2.216 . . . . 0.0 116.982 165.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.24 66.76 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.936 1.243 . . . . 0.0 111.237 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.0 12.44 22.09 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.39 2.276 . . . . 0.0 113.901 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.7 p -63.44 -20.04 65.23 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.57 -5.97 0.05 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 131.246 3.818 . . . . 0.0 117.112 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.92 139.29 17.63 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.147 1.779 . . . . 0.0 107.533 -168.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.66 -34.49 72.08 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 123.534 1.635 . . . . 0.0 109.699 176.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -61.8 -36.15 80.28 Favored 'General case' 0 N--CA 1.421 -1.91 0 C-N-CA 126.862 2.065 . . . . 0.0 110.923 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.21 46.48 Favored Glycine 0 C--O 1.212 -1.242 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 163.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD22 HD12 ' A' ' 68' ' ' LEU . 13.5 tp -58.81 -38.03 77.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 120.178 1.989 . . . . 0.0 113.604 176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.58 -33.04 74.97 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 129.721 3.208 . . . . 0.0 113.9 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.36 -38.91 63.08 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.588 1.155 . . . . 0.0 111.519 169.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.6 -38.46 87.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.519 1.528 . . . . 0.0 109.652 167.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -65.86 -43.69 87.68 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.184 1.394 . . . . 0.0 112.033 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.7 77.39 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.113 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.24 74.91 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.59 -1.319 . . . . 0.0 111.54 -175.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -59.6 -56.26 24.16 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.354 1.862 . . . . 0.0 109.968 169.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.2 mmpt? -60.59 -37.54 81.71 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 56.2 mmtt -67.1 -42.04 85.25 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.004 2.921 . . . . 0.0 112.085 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -70.37 -44.99 66.95 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' TYR . 4.5 t -48.35 -43.99 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 127.064 2.145 . . . . 0.0 113.686 -171.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 37.4 pttt -69.42 -33.89 73.64 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.155 1.782 . . . . 0.0 114.054 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.8 -14.02 43.42 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.41 3.084 . . . . 0.0 111.104 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -150.37 -133.04 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.61 172.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -137.12 56.64 1.78 Allowed 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 125.306 1.442 . . . . 0.0 111.794 -158.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.43 91.78 0.08 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 123.194 1.473 . . . . 0.0 111.2 166.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -48.4 167.91 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.738 1.615 . . . . 0.0 112.778 162.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -62.21 -36.44 81.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -62.92 -44.57 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.9 1.68 . . . . 0.0 113.181 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 16' ' ' SER . 23.8 t0 -61.39 -47.22 86.81 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.091 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.4 -46.59 89.45 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.408 -162.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -46.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 173.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -49.67 69.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 123.003 1.382 . . . . 0.0 110.401 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -46.02 82.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 112.163 -2.289 . . . . 0.0 114.279 172.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.95 1.705 . . . . 0.0 112.07 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.07 -28.3 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.026 0.917 . . . . 0.0 111.151 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.5 65.35 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 129.299 3.039 . . . . 0.0 116.619 166.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 24' ' ' ILE . 6.3 tt -70.03 -51.54 31.29 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 127.826 2.45 . . . . 0.0 109.789 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.65 69.71 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 161.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.68 -56.29 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 128.202 2.81 . . . . 0.0 110.203 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -69.83 -34.64 73.93 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.245 2.218 . . . . 0.0 113.221 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt-85 -55.95 -48.46 75.72 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.608 -1.308 . . . . 0.0 109.867 -172.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.17 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.1 -47.67 70.49 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 122.978 1.37 . . . . 0.0 109.918 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.1 mt -67.53 -32.56 73.43 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 112.306 -2.225 . . . . 0.0 115.126 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.4 mt-10 -75.12 -32.06 61.29 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 130.124 3.37 . . . . 0.0 111.657 174.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.11 -13.09 61.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.336 1.454 . . . . 0.0 111.9 158.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.9 t -116.1 33.84 5.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.629 1.172 . . . . 0.0 113.886 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -51.65 -16.09 0.58 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 128.391 2.677 . . . . 0.0 116.305 -167.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -39.31 123.37 1.41 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.517 2.727 . . . . 0.0 113.654 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -95.76 120.61 36.32 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -155.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.8 t 54.96 -55.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 129.415 3.086 . . . . 0.0 115.294 -160.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.45 -27.96 0.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 128.266 2.626 . . . . 0.0 113.961 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -163.97 -56.93 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.136 1.374 . . . . 0.0 112.545 -173.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 p -165.0 17.0 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -159.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.606 1.562 . . . . 0.0 114.148 -173.36 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -60.28 -19.97 57.14 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -73.75 0.75 12.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.82 1.648 . . . . 0.0 115.233 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.4 mtt 62.0 -178.8 0.13 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.521 1.928 . . . . 0.0 114.389 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.6 mp -63.61 -39.68 94.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.281 1.033 . . . . 0.0 113.155 -164.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 tp -150.93 -32.56 0.16 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.233 1.813 . . . . 0.0 113.112 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -144.8 153.87 42.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.827 1.651 . . . . 0.0 112.502 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -62.81 -15.88 55.88 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.96 -31.31 58.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.714 1.606 . . . . 0.0 114.235 -174.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -73.75 -19.23 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -151.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -32.93 69.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.006 173.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.36 -27.31 34.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 50' ' ' LYS . 3.4 m-85 -73.42 -24.34 60.25 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 124.628 1.171 . . . . 0.0 109.056 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -77.06 -45.88 25.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.559 1.544 . . . . 0.0 113.422 159.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.5 12.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 126.57 1.948 . . . . 0.0 114.656 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -28.08 65.63 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.543 2.737 . . . . 0.0 111.894 -174.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.59 13.22 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 129.004 2.922 . . . . 0.0 111.13 -167.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -99.89 -6.15 27.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.47 1.908 . . . . 0.0 114.48 -175.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.71 -63.57 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 125.398 1.479 . . . . 0.0 112.791 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -59.45 -44.19 93.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.728 1.211 . . . . 0.0 112.866 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.1 mmm -58.39 -35.29 71.79 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.626 -1.296 . . . . 0.0 113.048 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -38.93 55.01 Favored Glycine 0 C--O 1.216 -0.98 0 C-N-CA 124.097 0.856 . . . . 0.0 111.546 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.258 0.1 OUTLIER -65.03 -43.29 92.88 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.808 1.304 . . . . 0.0 109.118 -175.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 61' ' ' LEU . 1.1 pt -71.33 -41.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 171.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.24 67.49 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.812 -1.18 . . . . 0.0 112.392 174.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -102.35 12.11 37.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.794 2.038 . . . . 0.0 113.149 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.8 p -70.79 -19.4 62.69 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 119.562 -1.961 . . . . 0.0 114.117 -164.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 63.12 -6.11 0.19 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 130.311 3.445 . . . . 0.0 116.247 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -153.89 138.28 16.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 125.975 1.71 . . . . 0.0 107.409 -170.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -70.0 -35.6 74.52 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.337 -1.345 . . . . 0.0 109.317 175.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -62.35 -35.47 79.21 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 125.496 1.518 . . . . 0.0 111.459 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -40.82 50.7 Favored Glycine 0 C--O 1.212 -1.271 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 164.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.5 tp -58.68 -40.6 84.03 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 120.241 2.021 . . . . 0.0 113.864 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.17 -33.36 74.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 130.146 3.378 . . . . 0.0 114.411 168.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.3 -40.0 62.55 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.661 1.184 . . . . 0.0 111.427 168.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.58 -37.11 82.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.6 1.56 . . . . 0.0 109.402 168.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.07 -44.94 78.83 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.356 1.062 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.44 70.02 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.278 171.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -32.19 73.36 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 120.805 -1.184 . . . . 0.0 112.766 -176.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -59.31 -56.39 22.64 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.605 1.962 . . . . 0.0 109.37 166.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.5 mmpt? -61.6 -35.8 78.89 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.018 -1.051 . . . . 0.0 113.593 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 54.1 mmtt -66.47 -35.15 79.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.955 3.302 . . . . 0.0 113.029 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -69.69 -44.83 69.64 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 125.001 1.32 . . . . 0.0 113.348 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.66 -17.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -80.59 -28.87 37.0 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.949 1.7 . . . . 0.0 115.389 167.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -86.64 -12.08 49.49 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 130.937 3.695 . . . . 0.0 111.554 -173.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 t -153.84 -152.02 0.39 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.958 0.903 . . . . 0.0 112.497 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -131.21 40.4 3.45 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.394 2.278 . . . . 0.0 112.717 -152.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD22 ' CG ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -48.08 137.92 9.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 123.682 1.706 . . . . 0.0 109.376 159.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -116.6 172.98 6.87 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.034 178.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.47 -40.27 65.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.561 1.172 . . . . 0.0 109.979 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.7 m -60.09 -42.79 95.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' CG ' HD22 ' A' ' 49' ' ' LEU 0.254 0.0 OUTLIER -65.83 -50.47 64.51 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.629 2.013 . . . . 0.0 109.044 165.103 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.1 -46.55 77.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -154.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -46.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 122.808 1.289 . . . . 0.0 111.913 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -49.57 70.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.395 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -45.8 83.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 113.31 -1.768 . . . . 0.0 112.559 176.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -33.43 74.84 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 121.165 1.802 . . . . 0.0 111.574 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.42 -33.4 75.62 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.86 68.71 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 130.347 3.459 . . . . 0.0 115.182 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 24' ' ' ILE . 6.5 tt -67.82 -51.51 47.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.923 2.089 . . . . 0.0 110.162 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.28 -30.6 68.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.144 1.378 . . . . 0.0 112.365 162.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.44 36.72 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 128.066 2.746 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -69.7 -34.8 74.4 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 126.115 1.766 . . . . 0.0 114.1 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.9 ttt-85 -55.8 -47.52 76.99 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.469 -1.394 . . . . 0.0 109.973 -170.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.2 76.22 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.23 -47.75 69.85 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.02 1.391 . . . . 0.0 110.118 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.3 mt -67.66 -31.9 72.2 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 111.855 -2.429 . . . . 0.0 115.515 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.01 -31.98 61.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 129.741 3.216 . . . . 0.0 111.945 173.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -20.07 63.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.32 1.048 . . . . 0.0 110.974 158.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -104.37 24.64 11.26 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.7 -25.57 18.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.025 1.73 . . . . 0.0 114.412 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -94.3 84.62 4.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.909 1.684 . . . . 0.0 111.096 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -81.63 110.77 17.3 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.966 1.707 . . . . 0.0 111.664 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.3 t 59.6 -53.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 129.497 3.119 . . . . 0.0 115.483 -168.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.56 -28.98 0.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 128.774 2.829 . . . . 0.0 113.487 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -165.39 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.014 1.725 . . . . 0.0 112.936 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 p -169.63 26.88 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.687 1.195 . . . . 0.0 113.784 -160.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.061 1.344 . . . . 0.0 112.7 -164.196 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -136.64 12.06 3.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.609 1.163 . . . . 0.0 114.116 -170.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -151.04 138.3 19.34 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.266 1.426 . . . . 0.0 111.968 -177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt 55.95 169.05 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.428 2.291 . . . . 0.0 116.086 -173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.08 -17.2 55.6 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.63 1.172 . . . . 0.0 113.054 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt 61.53 2.98 0.74 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.874 2.47 . . . . 0.0 115.6 -174.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -156.93 115.28 3.27 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.069 2.148 . . . . 0.0 109.711 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -60.45 -30.9 69.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.67 -31.09 65.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.508 1.923 . . . . 0.0 115.286 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -74.41 -10.15 59.29 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 115.367 1.618 . . . . 0.0 115.367 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -58.44 -33.3 69.56 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.806 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.488 0.0 OUTLIER -81.63 -22.11 37.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.75 -24.91 22.54 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.726 2.41 . . . . 0.0 114.02 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.95 -37.37 55.42 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.162 1.785 . . . . 0.0 112.631 164.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.41 1.54 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.023 2.529 . . . . 0.0 115.243 172.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -59.04 -32.46 69.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.129 2.572 . . . . 0.0 113.133 -169.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -130.12 5.96 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 127.992 2.517 . . . . 0.0 110.527 -157.311 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.02 -29.51 65.46 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.27 1.828 . . . . 0.0 114.085 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.29 -38.69 0.85 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.239 1.416 . . . . 0.0 114.128 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.83 -47.01 83.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.34 2.256 . . . . 0.0 113.738 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.414 ' HG3' HG13 ' A' ' 17' ' ' ILE . 11.2 mmm -58.44 -31.13 67.47 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 119.687 -1.883 . . . . 0.0 111.887 174.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.16 -39.01 54.05 Favored Glycine 0 C--O 1.224 -0.503 0 C-N-CA 125.094 1.33 . . . . 0.0 112.27 169.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.26 1.0 OUTLIER -67.62 -43.18 81.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 C-N-CA 125.664 1.586 . . . . 0.0 107.754 -173.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.54 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.77 -41.51 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 168.023 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.19 66.95 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.518 -1.364 . . . . 0.0 112.106 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -102.83 12.3 36.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.798 2.439 . . . . 0.0 112.867 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.2 p -69.64 -22.15 63.49 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 120.091 -1.631 . . . . 0.0 113.336 -165.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 61.13 -6.77 0.1 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 131.197 3.799 . . . . 0.0 116.899 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 p -154.01 139.23 17.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 126.131 1.772 . . . . 0.0 107.501 -169.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -70.24 -36.48 74.52 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.43 -1.708 . . . . 0.0 109.351 175.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -60.94 -37.14 81.33 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 126.196 1.798 . . . . 0.0 111.368 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.89 -40.87 51.05 Favored Glycine 0 C--O 1.213 -1.159 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 164.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD22 HD12 ' A' ' 68' ' ' LEU . 12.6 tp -58.77 -40.32 83.58 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 120.574 2.187 . . . . 0.0 113.422 176.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.47 -32.74 74.27 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 129.877 3.271 . . . . 0.0 114.075 169.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.9 -39.33 63.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.583 1.153 . . . . 0.0 111.712 167.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.64 -37.3 83.51 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.113 1.365 . . . . 0.0 109.322 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -68.22 -42.16 80.19 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 125.204 1.401 . . . . 0.0 112.227 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.58 74.83 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.913 169.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -32.38 73.62 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 119.74 1.155 . . . . 0.0 111.546 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.54 -56.36 22.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.052 2.141 . . . . 0.0 108.318 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mmpm? -62.05 -38.51 89.0 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -67.06 -49.27 65.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 128.803 2.841 . . . . 0.0 112.645 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 47' ' ' THR . 35.3 ttt180 -70.37 -40.68 73.85 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.33 -30.22 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 O-C-N 119.255 -2.153 . . . . 0.0 116.203 -163.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -67.41 -34.03 76.4 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 169.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.1 -27.65 61.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 130.388 3.475 . . . . 0.0 112.579 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 43' ' ' ARG . 6.5 t -129.46 -153.63 0.58 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 111.937 -2.392 . . . . 0.0 112.333 -157.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -129.14 27.28 5.39 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.187 1.795 . . . . 0.0 114.45 -161.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.42 122.9 7.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.933 1.349 . . . . 0.0 109.693 160.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -107.29 179.93 4.11 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 129.217 3.007 . . . . 0.0 108.57 174.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -54.35 -41.59 69.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.26 -1.525 . . . . 0.0 111.902 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -59.79 -48.46 81.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.29 -46.08 90.36 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.677 1.58 . . . . 0.0 109.595 174.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -46.44 85.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.223 0.952 . . . . 0.0 111.909 -160.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -46.54 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.72 70.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 122.635 1.207 . . . . 0.0 111.795 -172.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -45.62 83.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.929 176.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -64.38 -42.08 96.34 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.108 0.867 . . . . 0.0 111.152 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.25 -29.39 69.62 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.42 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.24 67.19 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 129.435 3.094 . . . . 0.0 116.95 166.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.43 -51.75 33.34 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 127.649 2.38 . . . . 0.0 109.861 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.53 69.03 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.7 -55.43 28.9 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 128.211 2.815 . . . . 0.0 109.803 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.256 5.0 tptt -69.84 -34.58 73.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 126.69 1.996 . . . . 0.0 112.785 175.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.625 ' HG3' HD11 ' A' ' 30' ' ' LEU . 7.5 ttt-85 -55.9 -48.11 76.21 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 120.744 -1.223 . . . . 0.0 110.046 -173.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.18 75.29 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -67.27 -47.66 70.02 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 123.303 1.525 . . . . 0.0 110.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.51 -32.38 73.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 112.042 -2.344 . . . . 0.0 115.425 -177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.7 mt-10 -75.14 -31.78 61.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 130.114 3.366 . . . . 0.0 111.817 173.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -19.73 63.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.125 158.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -103.78 25.58 9.65 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.086 0.954 . . . . 0.0 113.548 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.78 -22.55 24.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.659 1.584 . . . . 0.0 114.471 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -126.51 129.97 49.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.46 2.704 . . . . 0.0 110.051 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -125.12 156.1 38.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -148.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.16 143.0 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.022 1.729 . . . . 0.0 112.506 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 64.0 -37.59 0.19 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 130.261 3.424 . . . . 0.0 117.116 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.73 -23.64 67.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.911 0.885 . . . . 0.0 110.738 166.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -141.79 50.38 1.56 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.07 1.748 . . . . 0.0 112.937 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.0 p90 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.099 1.36 . . . . 0.0 114.222 177.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -136.11 14.86 3.29 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.752 1.221 . . . . 0.0 114.033 -172.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -62.44 155.5 25.28 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.702 1.201 . . . . 0.0 114.011 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -63.49 160.65 15.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.774 1.63 . . . . 0.0 113.762 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.67 -15.15 63.43 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.649 1.58 . . . . 0.0 114.89 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.27 -1.71 1.17 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.83 10.35 36.53 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.593 1.557 . . . . 0.0 113.308 175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 66.57 -19.26 0.11 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.642 2.777 . . . . 0.0 117.994 165.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -77.89 -31.29 51.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.639 1.176 . . . . 0.0 114.064 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -57.89 -51.1 70.99 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -161.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -65.23 -33.02 75.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.522 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.74 -30.57 69.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.114 0.959 . . . . 0.0 112.993 174.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -83.13 -19.32 36.92 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.407 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.88 -43.28 36.47 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.387 1.475 . . . . 0.0 113.309 156.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.22 -34.57 57.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.642 1.977 . . . . 0.0 113.968 -172.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m -58.95 -31.44 68.7 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.677 2.791 . . . . 0.0 113.297 -170.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.258 0.4 OUTLIER -128.07 16.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 C-N-CA 127.781 2.432 . . . . 0.0 110.468 -161.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -86.44 -24.33 25.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.995 1.718 . . . . 0.0 114.611 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -134.13 -54.2 0.86 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -57.26 -40.77 78.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.815 1.188 . . . . 0.0 112.3 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.4 mmm -58.63 -36.67 74.45 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.666 1.986 . . . . 0.0 113.313 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.27 -39.02 53.14 Favored Glycine 0 C--O 1.224 -0.501 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -56.14 -48.2 76.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.961 2.104 . . . . 0.0 108.528 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.7 HG21 HD12 ' A' ' 61' ' ' LEU . 9.4 pt -71.69 -46.24 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -21.86 66.51 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.9 t -110.48 12.23 22.95 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 126.969 2.108 . . . . 0.0 113.413 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 68' ' ' LEU . 22.5 p -68.86 -22.07 64.23 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.506 -1.996 . . . . 0.0 113.846 -167.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.63 -3.74 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 130.28 3.432 . . . . 0.0 116.111 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.6 p -153.88 140.41 18.82 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 126.396 1.879 . . . . 0.0 107.376 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -71.48 -36.25 71.09 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 117.581 -1.647 . . . . 0.0 109.767 175.167 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.44 -36.29 75.65 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 126.27 1.828 . . . . 0.0 111.028 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.17 -41.57 46.58 Favored Glycine 0 C--O 1.214 -1.111 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 165.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 68' ' ' LEU . 11.3 tp -58.8 -38.51 78.76 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.141 1.971 . . . . 0.0 113.851 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 -32.69 74.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 129.769 3.227 . . . . 0.0 114.031 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.48 -41.8 65.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.325 1.05 . . . . 0.0 110.02 168.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.69 -37.19 83.21 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.626 1.57 . . . . 0.0 109.7 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -67.49 -45.07 76.93 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.403 1.081 . . . . 0.0 111.387 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.89 -48.93 76.84 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.162 171.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.05 73.25 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.955 -1.09 . . . . 0.0 111.901 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.54 -56.35 23.06 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.991 2.116 . . . . 0.0 109.023 169.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -60.52 -38.67 85.15 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -66.92 -46.52 74.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 129.54 3.136 . . . . 0.0 112.998 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -70.3 -43.96 69.28 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 119.513 1.051 . . . . 0.0 113.499 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 t -53.25 -38.24 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -162.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -59.74 -32.52 70.63 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 171.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.83 -9.81 54.91 Favored 'General case' 0 N--CA 1.479 1.019 1 C-N-CA 132.187 4.195 . . . . 0.0 112.372 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 t -142.54 -152.68 0.42 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.545 1.138 . . . . 0.0 112.527 -172.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -130.42 30.08 4.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.845 2.058 . . . . 0.0 114.245 -157.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.441 HD22 ' CG ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -49.0 129.64 17.64 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.343 1.544 . . . . 0.0 109.73 158.462 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -114.03 -177.74 3.2 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 130.067 3.347 . . . . 0.0 108.489 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.33 -42.68 78.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 119.766 -1.834 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.96 -43.38 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.845 1.658 . . . . 0.0 115.198 -170.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.584 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.25 -47.31 74.17 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 120.765 1.621 . . . . 0.0 108.79 172.293 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 27.5 t70 -62.03 -46.41 89.3 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.54 1.15 . . . . 0.0 111.81 -153.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -46.3 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.95 1.7 . . . . 0.0 113.965 176.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -49.22 71.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 123.029 1.395 . . . . 0.0 110.136 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -45.9 83.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 112.628 -2.078 . . . . 0.0 110.334 174.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.9 mmt85 -61.04 -35.13 76.09 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 122.092 2.224 . . . . 0.0 113.955 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.01 -34.75 77.09 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.91 64.24 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 129.542 3.137 . . . . 0.0 115.686 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.74 -51.79 25.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.731 2.812 . . . . 0.0 110.425 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.33 -30.69 69.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 160.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.07 -57.0 16.16 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 129.326 3.346 . . . . 0.0 109.258 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -69.77 -34.64 74.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.881 2.072 . . . . 0.0 112.803 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.3 ttt-85 -56.03 -48.94 75.02 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 120.639 -1.288 . . . . 0.0 109.617 -173.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.41 -36.2 73.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.07 -47.73 70.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 123.73 1.728 . . . . 0.0 110.152 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.676 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.26 17.4 mt -67.55 -32.73 73.7 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.325 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.25 -31.44 60.8 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 130.46 3.504 . . . . 0.0 112.137 174.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.27 -28.68 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.079 157.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -91.36 19.05 6.38 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.82 -20.22 55.6 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.041 1.736 . . . . 0.0 114.243 -170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -121.62 130.28 53.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.869 2.067 . . . . 0.0 110.608 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -131.53 157.82 42.56 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -154.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.23 136.59 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.784 1.633 . . . . 0.0 112.358 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 59.91 -21.3 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.313 1 C-N-CA 132.118 4.167 . . . . 0.0 118.418 166.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -33.5 76.08 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.477 1.111 . . . . 0.0 109.548 166.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.23 1.59 0.96 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 170.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.252 1.195 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -165.22 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 m -138.26 19.62 2.77 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.204 1.402 . . . . 0.0 112.943 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -75.89 -1.35 24.96 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.39 1.876 . . . . 0.0 115.654 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.7 mtt -138.22 159.08 42.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.699 1.6 . . . . 0.0 113.14 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.0 -6.98 57.66 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 115.484 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.1 tp 62.77 105.31 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.945 2.498 . . . . 0.0 113.342 -170.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 60.54 14.22 4.73 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 127.134 2.174 . . . . 0.0 114.961 -175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.3 p90 48.1 -17.12 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.504 3.922 . . . . 0.0 120.054 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -66.75 -31.35 71.94 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.032 2.133 . . . . 0.0 115.655 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.24 -21.15 66.28 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -155.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -33.0 69.03 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.855 0.359 . . . . 0.0 111.666 173.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -22.92 44.96 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -97.85 -19.61 18.02 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.936 1.294 . . . . 0.0 112.305 -170.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.92 -34.13 59.89 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.122 1.769 . . . . 0.0 112.546 160.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.51 73.91 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.362 2.265 . . . . 0.0 114.503 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.01 -28.78 66.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.048 2.139 . . . . 0.0 114.328 -162.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 5.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 127.731 2.412 . . . . 0.0 110.2 -154.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.42 -31.32 69.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.331 1.853 . . . . 0.0 113.699 -167.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -126.99 -37.55 2.09 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -61.95 -48.91 78.26 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 125.049 1.34 . . . . 0.0 112.441 -175.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.5 mmm -58.61 -30.83 67.54 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.163 -1.586 . . . . 0.0 111.957 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -38.86 54.3 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 124.47 1.033 . . . . 0.0 111.693 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -66.65 -43.26 85.07 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 126.112 1.765 . . . . 0.0 107.797 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 24' ' ' ILE . 5.3 pt -71.5 -41.56 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 166.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -21.87 66.84 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.561 -1.337 . . . . 0.0 110.972 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 p -108.86 12.2 25.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.976 1.31 . . . . 0.0 113.771 173.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.6 p -74.4 105.51 5.58 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 120.939 1.699 . . . . 0.0 106.465 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.39 9.56 2.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.606 -1.934 . . . . 0.0 113.309 -166.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 p -153.99 139.2 17.48 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 125.972 1.709 . . . . 0.0 108.443 -164.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.73 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.99 -34.4 68.86 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 123.87 1.795 . . . . 0.0 109.972 173.078 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -58.78 -37.4 76.23 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.846 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.92 57.06 Favored Glycine 0 C--O 1.216 -1.024 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.495 HD11 ' HG ' ' A' ' 61' ' ' LEU . 46.7 tp -58.59 -44.47 89.84 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.244 -1.151 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.32 -32.77 74.37 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.972 3.309 . . . . 0.0 113.706 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.49 -42.29 68.24 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.524 1.13 . . . . 0.0 110.963 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -37.05 82.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.254 1.422 . . . . 0.0 111.734 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -63.32 -42.13 98.98 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 125.469 1.508 . . . . 0.0 111.163 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.73 71.76 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.414 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -33.99 76.26 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 121.26 1.846 . . . . 0.0 111.376 -174.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -59.36 -56.44 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.698 1.599 . . . . 0.0 109.624 169.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.8 mmpt? -62.13 -34.93 77.28 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.823 -1.173 . . . . 0.0 113.442 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -66.94 -40.35 87.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 129.965 3.306 . . . . 0.0 112.623 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -70.11 -43.44 71.0 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 114.563 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 40' ' ' TYR . 10.9 t -50.52 -36.81 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 127.058 2.143 . . . . 0.0 114.47 -164.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -30.03 34.36 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.959 1.703 . . . . 0.0 115.239 177.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.12 -12.25 59.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 130.049 3.34 . . . . 0.0 111.701 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.276 7.1 t -144.17 -123.04 0.08 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.555 1.142 . . . . 0.0 111.922 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.93 50.59 0.25 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.667 1.587 . . . . 0.0 112.295 -161.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 54' ' ' ASP . 1.4 tm? -45.38 112.65 0.47 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 123.28 1.514 . . . . 0.0 110.014 164.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.47 170.32 11.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 112.54 -2.118 . . . . 0.0 109.247 173.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.56 -43.3 75.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.452 0.644 . . . . 0.0 110.983 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.6 m -59.49 -48.25 82.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.569 1.548 . . . . 0.0 113.555 -170.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.2 -45.59 92.69 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.563 ' HB2' HD11 ' A' ' 49' ' ' LEU . 23.3 t70 -63.56 -46.66 84.92 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.607 -168.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -46.66 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -49.76 69.91 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 123.113 1.435 . . . . 0.0 111.759 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -67.97 -45.86 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 CA-C-N 112.999 -1.91 . . . . 0.0 113.115 175.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -62.92 -42.98 99.98 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 119.596 1.089 . . . . 0.0 110.871 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.23 -28.99 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.525 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -44.28 64.87 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 129.626 3.17 . . . . 0.0 116.906 167.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' HD11 ' A' ' 33' ' ' LEU . 6.6 tt -70.77 -51.62 25.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 128.669 2.788 . . . . 0.0 110.605 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.7 68.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 159.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.78 -54.9 25.93 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 127.337 2.399 . . . . 0.0 109.749 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.668 2.387 . . . . 0.0 113.205 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.04 -47.47 77.8 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 120.068 1.304 . . . . 0.0 110.279 -170.448 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.38 78.13 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -67.37 -47.8 69.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 123.87 1.795 . . . . 0.0 110.422 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.309 16.3 mt -67.71 -32.69 73.5 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 112.17 -2.286 . . . . 0.0 115.5 -176.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.25 -31.42 60.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 130.402 3.481 . . . . 0.0 111.689 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.89 -29.27 68.33 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.336 158.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.7 t -93.9 24.62 4.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -53.06 -17.06 1.3 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.699 2.399 . . . . 0.0 115.687 -168.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -34.97 130.13 0.43 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 129.289 3.036 . . . . 0.0 114.856 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -116.19 156.46 26.48 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.803 1.241 . . . . 0.0 113.933 -165.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.8 t -46.52 131.72 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.251 1.421 . . . . 0.0 113.236 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.46 -30.27 0.11 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 130.511 3.524 . . . . 0.0 116.557 175.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.67 -34.31 62.67 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.571 1.548 . . . . 0.0 110.789 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 p -152.26 11.01 0.53 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 171.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--O 1.25 1.084 0 C-N-CA 124.487 1.115 . . . . 0.0 112.863 -176.439 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -137.79 10.42 2.88 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.289 1.436 . . . . 0.0 114.339 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 -62.36 160.42 13.38 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.161 1.385 . . . . 0.0 113.836 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mmt -139.13 159.58 41.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.175 1.79 . . . . 0.0 112.107 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 mt -78.64 -16.5 57.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -171.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.3 tp 59.51 -18.2 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 128.511 2.724 . . . . 0.0 115.893 -169.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -131.86 65.82 1.56 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.832 2.853 . . . . 0.0 109.147 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -56.16 -29.31 60.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -162.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.42 -31.12 72.19 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.41 1.484 . . . . 0.0 114.973 -175.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -159.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -32.81 69.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.333 174.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -22.3 50.96 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -95.45 -18.77 20.42 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.504 1.922 . . . . 0.0 112.393 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.32 -33.73 59.02 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.91 1.284 . . . . 0.0 113.273 155.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.72 80.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.246 1.818 . . . . 0.0 113.151 -169.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.515 ' C ' HD12 ' A' ' 17' ' ' ILE . 4.5 m -58.85 -24.09 61.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.203 2.601 . . . . 0.0 114.41 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 16' ' ' SER . 1.5 mp -128.88 -4.79 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 127.276 2.231 . . . . 0.0 111.857 -165.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.98 -25.21 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.501 1.92 . . . . 0.0 113.612 -166.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.74 -55.91 1.39 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.207 1.403 . . . . 0.0 111.636 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.24 -48.65 78.29 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 118.798 0.726 . . . . 0.0 112.199 -168.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.6 mmm -58.41 -36.89 74.26 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.212 -1.555 . . . . 0.0 112.488 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.94 55.16 Favored Glycine 0 C--O 1.226 -0.399 0 N-CA-C 112.224 -0.35 . . . . 0.0 112.224 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -43.18 99.19 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 124.441 1.097 . . . . 0.0 111.368 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.586 HG21 HD12 ' A' ' 61' ' ' LEU . 2.2 pt -71.66 -54.39 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 169.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.93 62.13 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -110.5 12.53 22.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.675 1.99 . . . . 0.0 113.577 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.36 -31.72 64.06 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.574 -1.329 . . . . 0.0 114.098 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 73.3 -4.04 2.3 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 127.903 2.481 . . . . 0.0 114.742 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -148.04 137.71 22.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 125.062 1.345 . . . . 0.0 108.086 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -71.41 -34.42 70.34 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-O 123.612 1.672 . . . . 0.0 110.378 177.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.48 -35.55 74.33 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 112.9 -1.954 . . . . 0.0 110.82 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.78 48.02 Favored Glycine 0 C--O 1.216 -1.001 0 N-CA-C 115.906 1.123 . . . . 0.0 115.906 165.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 68' ' ' LEU . 16.2 tp -58.86 -41.27 86.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 119.214 1.507 . . . . 0.0 112.088 178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.76 -33.08 75.04 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 130.581 3.553 . . . . 0.0 114.797 170.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.48 -43.01 61.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.889 1.275 . . . . 0.0 110.637 171.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.29 83.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.972 1.709 . . . . 0.0 111.258 167.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -63.29 -44.37 95.22 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 123.776 0.83 . . . . 0.0 110.915 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.9 79.93 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.855 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.02 73.31 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 120.4 -1.438 . . . . 0.0 112.633 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 44' ' ' VAL . 1.2 t80 -59.4 -56.47 21.67 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.121 1.769 . . . . 0.0 108.332 166.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -36.9 79.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -67.22 -49.28 65.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.359 2.664 . . . . 0.0 111.826 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -70.42 -42.7 71.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 40' ' ' TYR . 2.2 m -67.48 -29.76 46.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 121.535 1.971 . . . . 0.0 112.169 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -59.45 -39.63 84.21 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.239 1.415 . . . . 0.0 112.644 165.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.93 -6.53 45.87 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.012 2.125 . . . . 0.0 113.884 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 t -140.19 -95.64 0.15 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.994 1.318 . . . . 0.0 110.899 171.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -155.07 -26.19 0.11 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 165.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 53' ' ' ASP 0.477 0.0 OUTLIER 36.36 126.06 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 117.436 2.384 . . . . 0.0 117.436 -143.494 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.46 161.19 3.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.406 153.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -61.06 -35.06 75.93 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -59.5 -42.35 91.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.425 1.49 . . . . 0.0 113.216 -171.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' HB3' HD22 ' A' ' 49' ' ' LEU . 9.1 t0 -60.86 -51.04 71.01 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 11.6 t70 -60.41 -46.14 91.06 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 127.201 2.2 . . . . 0.0 113.675 -165.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -46.19 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.221 1.009 . . . . 0.0 111.312 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.45 -49.91 69.59 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.945 -171.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -67.66 -45.98 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 CA-C-N 112.571 -2.104 . . . . 0.0 110.394 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -65.06 -37.31 87.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 122.96 2.618 . . . . 0.0 113.332 -177.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.67 -32.61 72.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.73 39.71 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 130.067 3.347 . . . . 0.0 116.637 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HG21 ' A' ' 24' ' ' ILE . 6.9 tt -70.69 -51.65 26.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 129.547 3.139 . . . . 0.0 111.056 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.57 70.51 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 159.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.32 -58.84 8.34 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 127.709 2.576 . . . . 0.0 110.436 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.282 27.2 tptt -69.93 -34.7 73.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 128.229 2.612 . . . . 0.0 114.343 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.02 -46.89 78.66 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.949 -1.719 . . . . 0.0 110.337 -169.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.42 78.35 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.19 -47.59 70.45 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.965 1.364 . . . . 0.0 110.784 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.723 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.29 16.4 mt -67.54 -32.4 73.16 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 112.121 -2.309 . . . . 0.0 114.902 -178.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.9 mt-10 -75.16 -31.86 61.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 129.903 3.281 . . . . 0.0 111.903 173.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -75.21 -10.4 59.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.822 1.649 . . . . 0.0 111.536 160.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.7 t -116.3 33.6 5.46 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.74 1.216 . . . . 0.0 113.56 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -47.59 -29.87 3.21 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.493 2.317 . . . . 0.0 115.552 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.4 t70 44.37 31.13 0.55 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 127.541 2.337 . . . . 0.0 116.513 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.94 129.74 42.96 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.769 1.227 . . . . 0.0 113.344 -169.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t 57.0 -56.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 128.83 2.852 . . . . 0.0 115.886 -167.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.0 -27.39 0.34 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 128.132 2.573 . . . . 0.0 114.593 -167.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.37 -49.25 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.431 2.292 . . . . 0.0 111.508 -170.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.9 p -174.5 143.86 0.85 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 129.495 3.118 . . . . 0.0 108.336 -169.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.337 -0.84 . . . . 0.0 112.271 -176.513 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -72.88 -16.38 61.58 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -149.69 149.68 30.97 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.233 1.413 . . . . 0.0 112.434 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -153.62 153.36 32.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.367 1.867 . . . . 0.0 111.805 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -76.86 -32.19 57.34 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -159.48 -40.63 0.05 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.883 1.673 . . . . 0.0 112.042 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -143.96 145.15 32.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.153 1.781 . . . . 0.0 111.37 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -54.25 -35.6 62.69 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.582 1.553 . . . . 0.0 114.84 -172.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.46 -31.19 71.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 -168.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -74.29 -10.33 59.49 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 119.787 -1.82 . . . . 0.0 115.817 -165.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -58.35 -33.8 69.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.764 -0.774 . . . . 0.0 111.196 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.554 0.0 OUTLIER -81.81 -22.13 37.27 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -93.2 -25.12 17.96 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 128.051 2.54 . . . . 0.0 113.679 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.77 -35.04 57.97 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.543 1.537 . . . . 0.0 112.612 162.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.56 -36.73 3.15 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.59 2.356 . . . . 0.0 114.552 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.92 -35.65 73.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.544 2.338 . . . . 0.0 112.842 -171.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.3 4.67 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.374 0 C-N-CA 126.923 2.089 . . . . 0.0 111.079 -157.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.15 -27.53 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -173.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -137.31 -36.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.255 1.422 . . . . 0.0 114.236 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -60.15 -47.66 84.99 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 126.965 2.106 . . . . 0.0 113.022 177.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.6 mmm -60.45 -27.6 67.66 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 119.768 -1.833 . . . . 0.0 112.772 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.19 89.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.163 -0.961 . . . . 0.0 112.192 165.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.432 0.0 OUTLIER -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 129.145 2.978 . . . . 0.0 109.151 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG21 ' HB1' ' A' ' 60' ' ' ALA 0.258 43.4 mm -61.0 -54.38 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 126.105 1.762 . . . . 0.0 108.773 172.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -23.24 61.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.789 -166.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -108.42 12.45 26.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.409 2.283 . . . . 0.0 113.622 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.9 p -65.41 -20.26 66.3 Favored 'General case' 0 CA--C 1.552 1.054 0 O-C-N 120.714 -1.241 . . . . 0.0 112.843 -169.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 56.14 -10.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 132.582 4.353 . . . . 0.0 117.665 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 p -153.98 142.04 20.31 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.471 1.908 . . . . 0.0 107.495 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.36 -35.88 71.3 Favored 'General case' 0 C--O 1.211 -0.962 0 C-N-CA 117.79 -1.564 . . . . 0.0 110.056 177.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.7 -35.58 80.18 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 126.264 1.826 . . . . 0.0 111.581 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.4 46.26 Favored Glycine 0 C--O 1.212 -1.222 0 N-CA-C 116.141 1.216 . . . . 0.0 116.141 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 68' ' ' LEU . 16.3 tp -58.71 -39.65 81.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 120.398 2.099 . . . . 0.0 114.169 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.23 -33.44 74.58 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 129.914 3.286 . . . . 0.0 114.707 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.36 -38.65 63.15 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.693 1.197 . . . . 0.0 111.233 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.68 -37.11 82.9 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.097 1.359 . . . . 0.0 109.812 167.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.93 -44.6 80.23 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 125.281 1.433 . . . . 0.0 111.664 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.62 75.5 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.472 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -33.34 75.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.444 1.475 . . . . 0.0 111.179 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.67 -56.11 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.619 1.968 . . . . 0.0 108.151 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.3 mmpt? -63.2 -37.9 89.06 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -67.05 -46.65 73.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.347 3.059 . . . . 0.0 112.322 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -70.27 -45.1 67.08 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.38 -32.6 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -159.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.44 -32.98 74.7 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 171.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.93 -10.49 59.71 Favored 'General case' 0 N--CA 1.475 0.776 1 C-N-CA 132.032 4.133 . . . . 0.0 112.395 -177.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.0 t -141.23 -152.9 0.43 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.15 1.38 . . . . 0.0 112.459 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -132.25 28.64 4.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.946 2.098 . . . . 0.0 114.433 -156.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.28 129.35 18.23 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 123.44 1.591 . . . . 0.0 109.938 161.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -116.17 -178.48 3.42 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 129.695 3.198 . . . . 0.0 108.62 179.125 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.81 -43.15 76.64 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.512 -1.367 . . . . 0.0 110.449 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.1 m -59.7 -45.42 92.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -171.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.1 -48.0 75.23 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.456 1.48 . . . . 0.0 109.035 170.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.85 -46.59 84.3 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.503 1.127 . . . . 0.0 111.458 -157.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -46.49 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.624 -178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -49.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 122.804 1.287 . . . . 0.0 110.699 -170.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.95 -45.98 82.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 176.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -36.43 79.36 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-N 120.333 1.424 . . . . 0.0 111.257 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.19 -29.2 69.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.759 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.39 -41.67 69.34 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 131.157 3.783 . . . . 0.0 115.478 166.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.4 tt -65.95 -51.59 57.22 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 124.903 1.281 . . . . 0.0 110.822 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.56 71.49 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.457 -1.701 . . . . 0.0 113.375 166.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.83 -57.33 16.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 128.629 3.014 . . . . 0.0 109.604 173.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -69.94 -34.6 73.66 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 127.277 2.231 . . . . 0.0 113.537 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.623 ' HG3' HD11 ' A' ' 30' ' ' LEU . 10.1 ttt-85 -55.99 -49.31 73.95 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 120.446 -1.409 . . . . 0.0 110.31 -172.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.32 72.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -67.32 -47.68 69.83 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.355 1.55 . . . . 0.0 110.24 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.666 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.5 mt -67.4 -32.74 73.84 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.182 -2.281 . . . . 0.0 115.815 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.1 mt-10 -75.3 -31.67 60.74 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 130.304 3.441 . . . . 0.0 112.053 176.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.75 -26.99 65.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.149 158.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -95.45 23.87 5.62 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.05 -16.74 7.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.783 2.033 . . . . 0.0 114.884 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -46.94 134.75 9.99 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.762 2.425 . . . . 0.0 114.497 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -133.18 128.87 36.93 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.496 1.518 . . . . 0.0 113.621 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t 54.67 -58.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.297 3.039 . . . . 0.0 116.045 -167.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.53 -28.5 0.4 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 128.134 2.574 . . . . 0.0 113.896 -167.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -161.48 -55.33 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.68 1.192 . . . . 0.0 113.072 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -166.71 18.35 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -160.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.228 1.411 . . . . 0.0 114.293 -170.686 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 m -137.16 17.99 2.98 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.037 1.335 . . . . 0.0 113.401 -172.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -147.47 175.36 10.89 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.542 1.937 . . . . 0.0 112.016 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -133.76 154.85 50.68 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.067 1.347 . . . . 0.0 113.085 -173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.18 -25.65 66.25 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp 60.43 -33.39 0.07 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.126 2.971 . . . . 0.0 115.744 -169.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -137.42 112.77 9.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.998 2.519 . . . . 0.0 109.36 166.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -72.47 -8.5 55.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -170.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -57.5 -31.04 65.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.196 2.199 . . . . 0.0 114.88 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.41 -13.16 61.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.887 2.075 . . . . 0.0 113.734 -164.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -32.95 69.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.136 0.493 . . . . 0.0 110.718 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -22.15 44.51 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -92.35 -23.38 19.26 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 125.892 1.677 . . . . 0.0 110.386 -171.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -76.89 -38.13 54.15 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 125.965 1.706 . . . . 0.0 113.316 158.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.55 55.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.806 2.042 . . . . 0.0 114.152 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -27.68 65.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 127.783 2.433 . . . . 0.0 113.237 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.65 14.83 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 128.361 2.664 . . . . 0.0 110.998 -163.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -99.05 -7.94 26.04 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 127.212 2.205 . . . . 0.0 114.632 -171.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -130.99 -61.79 0.92 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.599 1.16 . . . . 0.0 112.109 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -57.54 -47.9 80.76 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 124.879 1.272 . . . . 0.0 112.936 -174.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.7 mmm -58.44 -35.78 72.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.259 1.424 . . . . 0.0 112.185 -171.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.01 56.08 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 123.979 0.799 . . . . 0.0 111.804 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.0 OUTLIER -62.71 -43.34 99.06 Favored 'General case' 0 N--CA 1.433 -1.322 0 C-N-CA 125.852 1.661 . . . . 0.0 109.317 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.661 HG21 HD12 ' A' ' 61' ' ' LEU . 8.6 pt -70.17 -44.33 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 168.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.08 65.41 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.617 0.644 . . . . 0.0 111.754 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -105.71 12.34 31.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.889 2.076 . . . . 0.0 113.657 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 68' ' ' LEU . 25.6 p -68.94 -23.74 64.19 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 119.298 -2.127 . . . . 0.0 113.467 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 58.71 -4.99 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.705 3.602 . . . . 0.0 116.566 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.9 p -153.63 139.19 17.79 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.874 1.67 . . . . 0.0 107.172 -169.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -70.03 -35.83 74.62 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.588 176.173 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.07 -35.05 77.46 Favored 'General case' 0 N--CA 1.426 -1.643 0 C-N-CA 126.335 1.854 . . . . 0.0 111.34 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.94 -43.63 40.28 Favored Glycine 0 C--O 1.211 -1.288 0 CA-C-O 118.436 -1.202 . . . . 0.0 115.756 163.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 68' ' ' LEU . 11.9 tp -58.56 -37.74 76.37 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.494 2.147 . . . . 0.0 113.224 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -32.8 74.59 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 129.837 3.255 . . . . 0.0 114.265 169.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.24 -39.03 63.33 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.434 1.093 . . . . 0.0 110.933 168.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.77 -39.21 90.83 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.994 1.717 . . . . 0.0 109.575 168.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -63.77 -45.71 88.54 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 125.17 1.388 . . . . 0.0 110.731 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -48.83 71.8 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.498 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -33.7 75.73 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.687 -1.258 . . . . 0.0 112.001 -175.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -56.51 21.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.736 2.014 . . . . 0.0 109.13 170.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 7.1 mmpt? -61.58 -36.47 80.76 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.89 -1.131 . . . . 0.0 113.304 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -66.97 -42.05 85.8 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.929 2.891 . . . . 0.0 113.278 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -70.28 -42.9 71.47 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.3 -34.77 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -161.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -31.07 69.22 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.974 1.71 . . . . 0.0 115.418 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.37 -10.35 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 130.926 3.691 . . . . 0.0 112.034 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 t -146.9 -143.75 0.14 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.09 1.356 . . . . 0.0 113.016 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -138.21 29.88 2.46 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.878 1.671 . . . . 0.0 114.524 -149.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.17 129.89 21.82 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 123.448 1.594 . . . . 0.0 109.797 165.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -115.01 -175.7 2.74 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 130.535 3.534 . . . . 0.0 108.192 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -55.94 -44.55 78.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 119.687 -1.883 . . . . 0.0 111.57 174.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.95 -45.21 93.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -168.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.573 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -65.28 -48.67 72.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.747 1.612 . . . . 0.0 109.044 171.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.3 -46.44 88.75 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 124.292 0.995 . . . . 0.0 111.428 -161.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -46.53 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.69 69.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.603 1.192 . . . . 0.0 111.393 -171.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -45.7 83.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.128 175.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.14 -43.62 98.42 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 119.653 1.115 . . . . 0.0 110.784 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.66 -28.73 68.69 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.809 -172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -45.78 61.99 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 129.737 3.215 . . . . 0.0 115.821 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD12 HG21 ' A' ' 24' ' ' ILE . 3.9 tt -70.57 -51.79 26.04 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.132 2.573 . . . . 0.0 110.539 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.59 69.87 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 159.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.01 -56.66 17.74 Favored Glycine 0 C--O 1.223 -0.548 0 C-N-CA 128.51 2.957 . . . . 0.0 109.753 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -69.76 -34.61 74.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 128.298 2.639 . . . . 0.0 112.439 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.638 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.3 ttt-85 -55.82 -48.8 74.8 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.209 -0.932 . . . . 0.0 109.564 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.17 75.2 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.25 -47.63 70.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 123.566 1.651 . . . . 0.0 109.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.664 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.2 mt -67.6 -32.47 73.22 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.165 -2.289 . . . . 0.0 115.147 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.0 mt-10 -75.29 -32.47 61.0 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 130.29 3.436 . . . . 0.0 112.082 173.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.72 -15.19 62.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.845 1.258 . . . . 0.0 110.843 158.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.5 t -108.22 24.33 13.16 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 172.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.68 -20.96 52.9 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.68 1.592 . . . . 0.0 114.713 -170.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -133.52 145.92 50.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.873 1.669 . . . . 0.0 111.128 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -131.56 170.24 15.01 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -141.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.3 t -45.77 135.92 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.924 1.69 . . . . 0.0 112.271 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 61.14 -30.1 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 130.959 3.703 . . . . 0.0 117.185 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.14 -28.58 62.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.978 1.711 . . . . 0.0 110.831 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.6 p -144.69 -0.76 0.92 Allowed 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 165.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.249 1.045 0 C-N-CA 124.148 0.979 . . . . 0.0 112.641 -171.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -138.07 13.44 2.86 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.792 1.237 . . . . 0.0 113.869 -171.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -143.72 164.09 31.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.655 1.582 . . . . 0.0 112.842 -171.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.82 159.24 14.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.206 1.402 . . . . 0.0 112.788 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.47 -41.93 75.52 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.076 0.95 . . . . 0.0 113.469 -173.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.7 mt 54.19 -10.32 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 129.336 3.055 . . . . 0.0 118.629 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.83 10.3 3.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.612 1.965 . . . . 0.0 114.251 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -138.02 142.39 40.38 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.35 1.86 . . . . 0.0 111.185 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -58.69 -31.33 68.11 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -66.64 -29.88 70.02 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -150.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -32.81 69.11 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.212 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -24.17 37.09 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.929 1.691 . . . . 0.0 115.032 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -92.35 -22.29 19.78 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.968 0.907 . . . . 0.0 111.047 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.6 -39.72 64.4 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.94 159.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.85 -39.45 39.11 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.356 1.863 . . . . 0.0 113.94 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' C ' HD12 ' A' ' 17' ' ' ILE . 2.8 m -58.96 -25.26 63.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.019 2.127 . . . . 0.0 114.629 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -116.18 -0.33 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 127.303 2.241 . . . . 0.0 110.924 -173.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.1 -14.93 49.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.703 1.601 . . . . 0.0 113.974 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.15 -72.33 0.69 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.422 1.489 . . . . 0.0 110.952 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -58.72 -48.66 80.38 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 124.475 1.11 . . . . 0.0 113.633 -167.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 32.6 mmm -58.46 -36.79 74.23 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.587 1.085 . . . . 0.0 113.023 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.09 -38.98 54.63 Favored Glycine 0 C--O 1.223 -0.554 0 CA-C-O 119.436 -0.646 . . . . 0.0 111.956 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.26 0.0 OUTLIER -61.99 -43.26 99.22 Favored 'General case' 0 N--CA 1.436 -1.151 0 C-N-CA 125.144 1.377 . . . . 0.0 109.688 -178.172 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD12 ' A' ' 61' ' ' LEU . 4.9 pt -70.81 -45.71 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 170.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.08 -21.8 65.25 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 118.758 0.708 . . . . 0.0 111.4 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.5 t -104.81 12.39 32.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.014 2.126 . . . . 0.0 113.453 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.0 p -68.78 -25.27 64.62 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.352 -2.093 . . . . 0.0 113.157 -168.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 57.5 -3.22 0.05 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 131.363 3.865 . . . . 0.0 116.8 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.1 p -153.7 139.73 18.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.956 1.702 . . . . 0.0 107.429 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -70.16 -36.39 74.69 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.55 1.643 . . . . 0.0 110.018 176.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -61.73 -34.77 76.4 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 113.011 -1.904 . . . . 0.0 111.707 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.97 -42.7 43.82 Favored Glycine 0 C--O 1.215 -1.078 0 CA-C-O 118.496 -1.169 . . . . 0.0 115.847 162.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 HD12 ' A' ' 68' ' ' LEU . 13.7 tp -58.7 -41.0 85.29 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 120.251 2.025 . . . . 0.0 113.962 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.39 -33.79 72.98 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 130.17 3.388 . . . . 0.0 114.624 167.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.19 -39.1 63.4 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.535 1.134 . . . . 0.0 110.962 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.7 mt -61.58 -37.21 83.02 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 124.87 1.268 . . . . 0.0 110.066 167.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -65.88 -44.91 83.94 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.556 1.542 . . . . 0.0 111.359 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.98 76.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.704 171.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -32.06 73.18 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.623 -1.298 . . . . 0.0 111.635 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -59.56 -56.4 22.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.298 1.839 . . . . 0.0 108.493 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -60.95 -36.97 80.77 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.591 -1.318 . . . . 0.0 113.292 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -67.04 -46.83 73.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.821 2.848 . . . . 0.0 113.361 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -70.32 -39.12 74.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 170.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.86 -36.29 72.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 119.509 -1.994 . . . . 0.0 114.215 -166.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -65.49 -34.45 78.31 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.584 1.554 . . . . 0.0 114.246 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -79.85 -20.14 46.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 129.575 3.15 . . . . 0.0 110.667 -169.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -152.52 -136.41 0.06 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -136.55 40.83 2.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.26 1.824 . . . . 0.0 114.203 -149.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 125.21 10.97 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 123.575 1.655 . . . . 0.0 108.365 150.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.53 -177.14 3.28 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 128.488 2.715 . . . . 0.0 108.38 177.179 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.81 -40.98 76.96 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 119.988 -1.695 . . . . 0.0 111.617 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 m -59.44 -45.66 90.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -169.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.581 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.19 -50.51 67.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.038 1.29 . . . . 0.0 108.635 174.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.27 -45.13 94.38 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.931 1.292 . . . . 0.0 113.028 -160.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -46.32 80.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 124.545 1.138 . . . . 0.0 111.982 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -49.77 70.52 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.08 0.943 . . . . 0.0 108.628 -173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.63 -46.01 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-N 112.74 -2.027 . . . . 0.0 111.958 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -69.26 -37.41 77.91 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 122.685 2.493 . . . . 0.0 111.481 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.99 -30.88 70.25 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 118.51 -1.276 . . . . 0.0 111.939 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.32 -50.26 34.22 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 129.742 3.217 . . . . 0.0 116.468 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 24' ' ' ILE . 4.6 tt -70.75 -51.62 26.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.6 3.56 . . . . 0.0 110.405 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.64 71.73 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 161.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.62 -59.09 6.23 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 128.084 2.754 . . . . 0.0 110.549 170.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.78 -34.7 74.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 128.921 2.889 . . . . 0.0 112.539 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.636 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.2 ttt-85 -55.88 -49.62 72.88 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 124.521 1.129 . . . . 0.0 109.619 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.28 75.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.29 -47.74 69.72 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.277 1.513 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.684 ' HB2' HD12 ' A' ' 30' ' ' LEU . 18.0 mt -67.56 -32.18 72.76 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 112.514 -2.13 . . . . 0.0 115.695 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.2 mt-10 -75.17 -31.58 61.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.747 3.619 . . . . 0.0 112.155 174.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.75 -27.47 66.81 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.92 157.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -93.28 21.91 5.62 Favored 'General case' 0 CA--C 1.56 1.345 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -55.12 -16.86 3.38 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 127.518 2.327 . . . . 0.0 115.28 -171.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -46.76 144.25 2.43 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.581 2.752 . . . . 0.0 114.754 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -122.86 56.31 1.15 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.34 1.056 . . . . 0.0 113.372 -159.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t 65.84 -48.4 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 129.546 3.138 . . . . 0.0 117.325 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.2 -26.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 127.226 2.21 . . . . 0.0 114.039 -164.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.78 -24.83 59.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.271 1.028 . . . . 0.0 111.793 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -147.27 8.49 0.92 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 168.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.93 1.292 . . . . 0.0 112.039 -179.33 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -134.38 12.8 3.83 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -171.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -67.59 -22.21 65.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.894 1.277 . . . . 0.0 114.248 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.7 mmt -133.54 169.49 16.91 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.384 1.874 . . . . 0.0 112.428 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.21 -37.94 84.46 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -169.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 56.06 -15.64 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.601 2.76 . . . . 0.0 118.228 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -133.84 4.51 3.57 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.554 1.942 . . . . 0.0 114.25 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -146.45 148.8 32.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.471 1.508 . . . . 0.0 110.798 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -57.5 -31.16 65.75 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 -155.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -64.56 -28.91 69.96 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.125 -1.61 . . . . 0.0 115.293 -151.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -32.84 69.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.106 174.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -22.36 37.93 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.55 -24.05 17.41 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 124.934 1.294 . . . . 0.0 111.591 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -76.57 -28.81 56.37 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.404 1.482 . . . . 0.0 113.49 158.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.73 -42.83 68.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 113.35 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.537 ' C ' HD12 ' A' ' 17' ' ' ILE . 5.0 m -59.35 -22.12 60.83 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.123 2.169 . . . . 0.0 114.267 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.537 HD12 ' C ' ' A' ' 16' ' ' SER . 1.7 mp -126.06 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.637 2.375 . . . . 0.0 111.634 -168.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.35 -25.05 57.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.991 1.716 . . . . 0.0 113.611 -167.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.7 -54.72 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.624 1.569 . . . . 0.0 112.291 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -57.07 -46.01 82.82 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.282 0.946 . . . . 0.0 113.039 -167.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 mmm -58.31 -39.39 79.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.259 1.424 . . . . 0.0 113.1 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.83 -39.08 55.86 Favored Glycine 0 C--O 1.221 -0.669 0 O-C-N 121.917 -0.49 . . . . 0.0 112.239 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.301 0.1 OUTLIER -58.98 -43.22 91.36 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 118.322 1.061 . . . . 0.0 111.525 -178.672 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 61' ' ' LEU . 5.2 pt -71.53 -54.48 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 170.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.33 -22.03 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.546 -0.722 . . . . 0.0 111.926 -173.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.8 t -111.31 12.53 21.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.92 2.088 . . . . 0.0 114.274 172.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.52 -31.69 66.31 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 120.258 -1.526 . . . . 0.0 113.579 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 69.72 -3.82 1.58 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.278 2.631 . . . . 0.0 114.85 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p -146.19 137.65 24.71 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 125.114 1.366 . . . . 0.0 108.512 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.43 -33.44 69.42 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 123.28 1.514 . . . . 0.0 110.044 178.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.35 -34.54 75.46 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.833 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.85 47.63 Favored Glycine 0 C--O 1.216 -1.028 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 164.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 68' ' ' LEU . 22.0 tp -58.66 -42.78 89.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 119.138 1.469 . . . . 0.0 112.298 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.49 -32.92 74.52 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 130.227 3.411 . . . . 0.0 114.149 170.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.27 -42.39 59.69 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.735 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.21 82.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.216 1.806 . . . . 0.0 110.345 167.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.09 -46.16 88.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 119.361 0.982 . . . . 0.0 110.668 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -46.34 83.73 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.508 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -34.12 77.6 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.972 1.26 . . . . 0.0 112.387 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -59.59 -56.39 22.51 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 109.259 168.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -60.29 -34.68 74.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -49.43 67.13 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 128.191 2.596 . . . . 0.0 111.414 175.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -70.07 -46.04 65.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -58.63 -36.24 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 120.77 1.623 . . . . 0.0 113.11 -177.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -59.53 -40.32 86.77 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.955 0.902 . . . . 0.0 113.139 169.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -11.64 60.66 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.507 1.923 . . . . 0.0 112.615 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 t -153.2 -135.22 0.05 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.532 0.733 . . . . 0.0 111.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -144.37 63.01 1.33 Allowed 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 123.313 1.53 . . . . 0.0 112.588 -162.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 1.7 tt -55.09 99.57 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.214 -1.812 . . . . 0.0 112.112 167.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.14 166.24 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 113.452 -1.704 . . . . 0.0 112.911 160.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.05 -38.69 89.68 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.423 ' HA ' HD11 ' A' ' 55' ' ' ILE . 54.4 m -59.46 -42.49 92.14 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.478 1.511 . . . . 0.0 113.188 -168.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' O ' HG22 ' A' ' 57' ' ' VAL . 8.5 t0 -61.58 -50.76 71.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.31 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.18 -46.23 90.41 Favored 'General case' 0 C--O 1.211 -0.937 0 C-N-CA 128.336 2.655 . . . . 0.0 112.227 -165.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.68 -46.4 79.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 174.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.42 ' CB ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -64.59 -49.85 69.52 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 118.545 -1.262 . . . . 0.0 107.662 -172.335 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ASP . 22.9 m -67.86 -46.36 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.113 0 CA-C-N 112.272 -2.24 . . . . 0.0 113.273 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -69.12 -34.25 74.75 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 123.176 2.716 . . . . 0.0 112.864 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.27 -30.57 63.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.332 1.063 . . . . 0.0 111.454 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -46.83 60.21 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 129.676 3.19 . . . . 0.0 116.381 168.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 24' ' ' ILE . 2.3 tt -70.85 -51.72 24.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 129.5 3.12 . . . . 0.0 110.743 -178.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.54 69.85 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 158.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.7 -56.46 20.21 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.705 2.098 . . . . 0.0 109.906 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -69.65 -34.7 74.38 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 129.332 3.053 . . . . 0.0 113.872 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.639 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -55.98 -47.43 77.7 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 119.761 -1.837 . . . . 0.0 110.397 -171.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.38 77.13 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.12 -47.78 70.09 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.976 1.37 . . . . 0.0 111.376 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.278 15.4 mt -67.46 -32.58 73.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.033 -2.349 . . . . 0.0 114.782 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.7 mt-10 -75.2 -31.98 61.07 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.544 3.538 . . . . 0.0 111.807 173.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.07 -13.63 61.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.635 1.174 . . . . 0.0 111.088 158.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 68' ' ' LEU . 7.2 t -106.19 21.12 17.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.263 1.025 . . . . 0.0 113.361 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.85 -24.89 54.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.981 1.712 . . . . 0.0 113.578 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.95 104.11 0.08 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.553 2.741 . . . . 0.0 112.929 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.4 116.08 11.31 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.767 1.227 . . . . 0.0 111.592 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.5 t 57.11 -54.86 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 128.92 2.888 . . . . 0.0 114.856 -160.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.87 -30.36 0.44 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 128.932 2.893 . . . . 0.0 113.785 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -163.97 -55.31 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.011 1.724 . . . . 0.0 112.867 -174.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 p -167.0 14.39 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -162.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.133 1.373 . . . . 0.0 112.46 -167.078 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -138.98 22.59 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.645 1.578 . . . . 0.0 112.741 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -140.44 12.11 2.34 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -160.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.05 143.35 52.21 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.168 0.987 . . . . 0.0 113.556 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.1 mt -79.15 -13.77 59.52 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.49 -46.73 87.97 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.595 1.558 . . . . 0.0 114.877 -167.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.25 23.15 0.49 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -131.98 168.99 16.95 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.117 1.767 . . . . 0.0 112.565 -175.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -57.56 -31.12 65.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.332 2.253 . . . . 0.0 115.076 -170.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -56.73 -23.75 44.77 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.965 2.506 . . . . 0.0 117.648 -168.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -32.91 68.74 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.931 172.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -22.66 53.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -100.2 -22.27 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.734 1.614 . . . . 0.0 112.923 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -76.82 -32.07 57.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.085 1.354 . . . . 0.0 112.802 161.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.36 72.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.047 2.139 . . . . 0.0 114.401 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -59.03 -30.46 68.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.495 2.318 . . . . 0.0 113.581 -161.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.62 7.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 127.643 2.377 . . . . 0.0 110.413 -154.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.43 -25.78 59.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.761 1.624 . . . . 0.0 114.062 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.5 -44.35 1.0 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.088 1.355 . . . . 0.0 113.707 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -48.87 78.89 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.186 1.395 . . . . 0.0 113.079 -174.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 mmm -58.51 -30.36 66.99 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.095 -1.628 . . . . 0.0 112.146 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.88 -38.95 55.92 Favored Glycine 0 C--O 1.222 -0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 112.023 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.04 -43.17 83.45 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 126.323 1.849 . . . . 0.0 107.984 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.595 HG21 HD12 ' A' ' 61' ' ' LEU . 4.0 pt -71.23 -42.54 74.96 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 167.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -22.52 66.13 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.91 1.232 . . . . 0.0 111.964 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.1 t -102.79 12.46 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.37 2.268 . . . . 0.0 112.974 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 68' ' ' LEU . 24.8 p -69.11 -23.55 64.01 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.579 -1.951 . . . . 0.0 113.451 -167.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 59.86 -5.87 0.08 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 131.285 3.834 . . . . 0.0 116.586 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 p -154.02 139.19 17.44 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.779 1.631 . . . . 0.0 107.653 -169.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -69.96 -36.18 75.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 117.481 -1.688 . . . . 0.0 109.214 177.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.64 -35.7 78.68 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.403 -176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.33 51.23 Favored Glycine 0 C--O 1.214 -1.11 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 163.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -59.15 -43.56 92.08 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 120.37 2.085 . . . . 0.0 114.303 175.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.81 -32.96 71.13 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 129.887 3.275 . . . . 0.0 113.956 168.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -41.72 61.01 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.815 2.446 . . . . 0.0 109.812 171.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.55 -36.95 82.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.019 2.128 . . . . 0.0 109.536 167.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -69.54 -44.39 71.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 112.26 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.96 97.21 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.073 171.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -33.9 76.63 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.312 0.645 . . . . 0.0 112.712 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.47 -55.34 35.87 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.485 1.514 . . . . 0.0 108.473 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.1 mmpt? -60.4 -34.96 74.68 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.84 -41.63 87.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.836 2.854 . . . . 0.0 112.623 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -70.17 -46.83 63.83 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 126.18 1.792 . . . . 0.0 114.652 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.15 -24.64 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 127.028 2.131 . . . . 0.0 116.43 -161.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.73 -31.11 32.19 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 170.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.63 -10.89 58.75 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 130.947 3.699 . . . . 0.0 112.023 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.9 t -147.85 -146.23 0.19 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.048 1.339 . . . . 0.0 112.031 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -138.34 46.6 2.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.661 1.984 . . . . 0.0 111.052 -150.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 54' ' ' ASP . 2.6 tm? -55.47 90.26 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 123.868 1.794 . . . . 0.0 110.154 167.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -61.38 170.62 1.72 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.399 1.88 . . . . 0.0 110.527 161.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -59.38 -40.3 86.1 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.149 -0.969 . . . . 0.0 112.555 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.1 m -59.7 -48.34 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.157 1.383 . . . . 0.0 113.621 -171.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.16 -45.2 94.48 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' HB2' HD11 ' A' ' 49' ' ' LEU . 54.1 t0 -62.97 -46.51 87.39 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.19 -166.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.43 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.533 0.682 . . . . 0.0 112.468 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.71 69.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.13 -171.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.93 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.266 1.426 . . . . 0.0 113.816 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -69.09 -36.88 78.05 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 119.587 1.085 . . . . 0.0 111.193 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.36 -31.35 71.53 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.515 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.46 -42.81 67.69 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 129.754 3.222 . . . . 0.0 115.966 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -68.89 -51.36 40.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 127.217 2.207 . . . . 0.0 109.248 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.84 70.23 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 162.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.62 26.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 128.45 2.928 . . . . 0.0 109.832 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -69.83 -34.54 73.79 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 127.446 2.298 . . . . 0.0 112.895 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.3 ttt180 -55.86 -48.93 74.67 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 124.41 1.084 . . . . 0.0 109.694 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.14 74.25 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.22 -47.74 69.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 123.098 1.427 . . . . 0.0 110.386 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.662 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.3 mt -67.69 -31.94 72.24 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.337 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mt-10 -75.17 -31.56 61.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 130.346 3.458 . . . . 0.0 112.239 173.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -20.55 64.4 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.201 156.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -101.97 21.61 14.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 174.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.41 -14.41 12.05 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.826 2.051 . . . . 0.0 115.145 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -42.71 135.38 2.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.497 1.919 . . . . 0.0 114.483 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -118.56 152.41 36.05 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.36 1.464 . . . . 0.0 113.774 -165.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -49.91 135.61 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.865 1.266 . . . . 0.0 112.78 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 58.06 -22.68 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 131.295 3.838 . . . . 0.0 119.103 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.88 -31.62 72.34 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.164 0.986 . . . . 0.0 111.059 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 p -160.25 5.39 0.08 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.888 1.275 . . . . 0.0 113.339 -179.001 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.097 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -152.66 -41.85 0.1 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -143.52 32.78 1.3 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.531 1.132 . . . . 0.0 113.081 -174.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -146.19 152.78 39.79 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.323 1.449 . . . . 0.0 112.574 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -74.96 -45.41 42.49 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.334 0.654 . . . . 0.0 111.589 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.4 tp -151.03 -30.07 0.18 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.521 1.928 . . . . 0.0 113.254 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -146.99 147.48 30.75 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.599 1.96 . . . . 0.0 111.71 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -58.58 -30.93 67.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -171.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.11 -31.17 71.6 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.878 2.071 . . . . 0.0 114.933 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.07 -10.7 60.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.592 1.957 . . . . 0.0 113.752 -168.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -32.9 69.1 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.005 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.44 -37.65 63.22 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.812 0.815 . . . . 0.0 112.743 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -79.39 -20.21 48.2 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.254 -0.904 . . . . 0.0 113.069 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 -25.6 63.57 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.653 2.381 . . . . 0.0 113.681 158.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.09 -26.18 15.07 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.094 1.758 . . . . 0.0 114.145 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 t -58.93 -31.67 68.87 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.524 2.33 . . . . 0.0 112.104 -162.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.64 3.03 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 125.196 1.398 . . . . 0.0 112.768 -153.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.98 -23.29 28.78 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.11 -34.24 1.68 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.83 1.252 . . . . 0.0 114.342 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -47.65 83.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.584 1.954 . . . . 0.0 112.275 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 mmm -58.38 -32.82 68.95 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.063 -1.648 . . . . 0.0 111.717 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.78 -39.0 56.3 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 125.355 1.455 . . . . 0.0 112.397 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -67.98 -43.29 79.29 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.081 1.752 . . . . 0.0 107.995 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.473 HG21 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.78 -44.73 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 168.188 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.02 65.59 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.899 -1.125 . . . . 0.0 112.498 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -102.88 12.51 36.06 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.724 2.01 . . . . 0.0 112.776 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 68' ' ' LEU . 30.4 p -71.63 -21.46 61.83 Favored 'General case' 0 CA--C 1.561 1.373 0 O-C-N 119.761 -1.837 . . . . 0.0 112.696 -163.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 58.31 -5.88 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 131.068 3.747 . . . . 0.0 117.516 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.89 138.36 16.79 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 126.501 1.92 . . . . 0.0 107.274 -169.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.672 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -68.53 -37.08 79.69 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 117.902 -1.519 . . . . 0.0 109.778 174.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.27 -35.77 78.22 Favored 'General case' 0 N--CA 1.422 -1.872 0 C-N-CA 125.708 1.603 . . . . 0.0 111.245 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.96 -41.81 47.21 Favored Glycine 0 C--O 1.214 -1.134 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 163.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 68' ' ' LEU . 13.0 tp -58.85 -37.62 76.9 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 120.659 2.23 . . . . 0.0 113.787 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.73 -32.73 74.44 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 129.947 3.299 . . . . 0.0 113.796 169.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.41 -38.19 63.15 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.057 1.343 . . . . 0.0 111.836 167.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.6 -37.25 83.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.41 1.484 . . . . 0.0 109.744 166.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.54 -39.3 74.08 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.636 1.574 . . . . 0.0 112.629 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.36 91.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.553 168.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -32.11 73.14 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.056 -1.027 . . . . 0.0 112.094 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.59 -55.45 34.36 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.816 1.246 . . . . 0.0 108.739 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -59.89 -37.19 78.68 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.017 -1.052 . . . . 0.0 113.164 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -67.0 -33.56 75.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 129.058 2.943 . . . . 0.0 113.431 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -70.36 -45.27 66.41 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.73 -25.88 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 120.368 -1.457 . . . . 0.0 114.655 -163.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -66.21 -32.48 73.94 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 168.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -93.05 -13.21 28.91 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 130.862 3.665 . . . . 0.0 110.958 -165.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 t -143.78 -131.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 126.721 2.009 . . . . 0.0 107.929 168.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -132.05 -23.2 2.23 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.413 0.0 OUTLIER 35.05 152.16 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 130.191 3.397 . . . . 0.0 117.469 -149.276 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.35 153.09 31.96 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.554 170.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.6 -41.34 81.04 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 122.594 1.188 . . . . 0.0 109.498 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.301 19.3 m -59.35 -35.11 73.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.636 2.774 . . . . 0.0 113.532 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.8 -49.71 19.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.284 0.493 . . . . 0.0 110.064 165.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.266 4.9 t0 -64.24 -46.73 82.51 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 117.23 -1.367 . . . . 0.0 111.147 -162.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -46.52 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 123.866 1.793 . . . . 0.0 112.625 -173.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -49.68 70.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 111.317 -2.674 . . . . 0.0 110.163 -166.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -45.84 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 112.615 -2.084 . . . . 0.0 113.274 170.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -59.4 -38.06 79.59 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 121.493 1.951 . . . . 0.0 112.911 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.31 -35.34 79.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.84 62.21 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 129.315 3.046 . . . . 0.0 116.759 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 HD12 HG21 ' A' ' 24' ' ' ILE . 9.1 tt -69.92 -51.65 31.14 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 127.95 2.5 . . . . 0.0 109.589 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.61 71.36 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 163.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -51.35 -58.43 9.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 128.832 3.111 . . . . 0.0 109.415 174.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.266 0.4 OUTLIER -69.75 -34.66 74.12 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.315 1.846 . . . . 0.0 113.177 176.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.663 ' HG3' HD11 ' A' ' 30' ' ' LEU . 6.0 ttt-85 -55.89 -48.7 75.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.625 -1.297 . . . . 0.0 110.508 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.14 74.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.35 -47.82 69.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 123.566 1.651 . . . . 0.0 109.624 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CB ' HD12 ' A' ' 30' ' ' LEU . 17.5 mt -67.58 -32.17 72.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 111.999 -2.364 . . . . 0.0 115.248 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.9 mt-10 -75.1 -31.55 61.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 129.987 3.315 . . . . 0.0 110.969 175.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -25.63 64.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.827 0.851 . . . . 0.0 110.768 158.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 5.1 t -93.96 23.38 4.94 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.87 -23.14 4.45 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -165.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.79 -8.04 24.69 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -173.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 48.3 32.07 2.99 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 128.394 2.678 . . . . 0.0 117.788 161.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.4 t -74.2 -54.38 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 122.798 1.285 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.3 -44.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 129.0 2.92 . . . . 0.0 109.568 -172.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -143.65 -62.63 0.4 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.196 2.198 . . . . 0.0 110.294 154.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 p -165.46 9.98 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -164.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.0 t80 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.758 1.623 . . . . 0.0 112.7 -173.32 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 m -67.68 -24.08 65.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -137.72 -0.75 2.1 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 -173.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 69.0 mtm -146.44 143.34 28.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.21 1.404 . . . . 0.0 112.284 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 -21.96 46.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.478 1.511 . . . . 0.0 114.247 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 mt 58.4 3.23 0.25 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.508 2.323 . . . . 0.0 115.488 -167.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.64 103.31 2.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.206 2.603 . . . . 0.0 108.4 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -74.3 -22.02 59.47 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -164.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -59.34 -31.17 68.94 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.584 1.954 . . . . 0.0 115.371 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.76 -20.51 66.29 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 114.429 -160.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -32.79 68.82 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.167 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -22.38 41.64 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -94.21 -21.07 19.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.276 1.43 . . . . 0.0 112.35 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.33 -45.92 68.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.42 1.088 . . . . 0.0 112.083 155.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.04 57.06 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.482 1.513 . . . . 0.0 113.43 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -59.25 -25.86 64.41 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.133 2.573 . . . . 0.0 114.54 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mp -118.11 -31.82 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.925 1.69 . . . . 0.0 112.228 -170.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.67 -33.81 56.57 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.035 2.534 . . . . 0.0 115.3 -164.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -113.25 -40.24 3.95 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.508 1.123 . . . . 0.0 112.861 167.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -48.74 79.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.766 1.226 . . . . 0.0 113.807 -174.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -29.13 69.53 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 119.832 -1.792 . . . . 0.0 112.945 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.08 53.2 Favored Glycine 0 C--O 1.22 -0.777 0 C-N-CA 124.587 1.089 . . . . 0.0 112.259 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -60.38 -43.23 96.79 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 128.009 2.524 . . . . 0.0 109.329 177.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 61' ' ' LEU . 34.8 mm -61.16 -54.66 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.754 1.222 . . . . 0.0 108.824 171.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.92 62.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.726 -164.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -107.62 12.38 27.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 113.525 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' A' ' 68' ' ' LEU . 32.0 p -66.59 -22.19 66.13 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 120.669 -1.269 . . . . 0.0 112.186 -168.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 54.43 -10.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 1 C-N-CA 133.12 4.568 . . . . 0.0 118.264 176.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 p -153.98 142.79 21.01 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 126.769 2.028 . . . . 0.0 107.646 -166.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.681 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.88 -35.89 69.9 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.489 177.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.98 -35.2 79.39 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 125.754 1.622 . . . . 0.0 111.551 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.02 -40.51 51.19 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 117.917 -1.491 . . . . 0.0 115.682 163.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 68' ' ' LEU . 10.3 tp -58.76 -44.17 90.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 120.752 2.276 . . . . 0.0 113.059 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 130.461 3.505 . . . . 0.0 114.917 164.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.09 -37.47 64.18 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.205 1.002 . . . . 0.0 111.918 167.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -37.25 82.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.259 1.024 . . . . 0.0 109.872 166.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.29 -40.1 86.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 126.063 1.745 . . . . 0.0 113.065 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.17 74.68 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.196 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -32.62 73.96 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.848 -1.157 . . . . 0.0 111.354 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.0 t80 -59.33 -56.49 21.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.817 1.647 . . . . 0.0 106.809 172.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mmpm? -59.61 -41.24 89.91 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.522 -0.736 . . . . 0.0 112.348 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -67.09 -35.58 80.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 129.918 3.287 . . . . 0.0 113.664 -175.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.43 -50.54 37.31 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 119.303 0.956 . . . . 0.0 113.139 160.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' TYR . 99.1 t -59.11 -29.11 40.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 120.054 -1.654 . . . . 0.0 114.592 -167.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -38.77 91.95 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 168.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -81.53 -13.15 58.44 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 129.574 3.149 . . . . 0.0 113.276 170.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 t 48.39 105.11 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 130.257 3.423 . . . . 0.0 116.853 163.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.294 2.5 pt-20 -141.09 28.93 1.86 Allowed 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 111.884 -2.416 . . . . 0.0 113.925 136.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' CB ' HG22 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -82.02 112.07 18.76 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.649 162.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -84.97 -168.59 2.27 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 113.553 -1.658 . . . . 0.0 108.017 170.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -62.61 -37.88 87.99 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 120.306 -1.496 . . . . 0.0 113.565 170.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.6 m -68.29 -43.51 77.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.609 1.564 . . . . 0.0 114.411 -165.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.579 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -60.78 -48.56 81.25 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 172.595 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB2' HD21 ' A' ' 49' ' ' LEU . 27.5 t0 -60.31 -44.36 95.5 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 122.035 0.922 . . . . 0.0 112.196 -158.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -68.46 -46.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.552 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -49.74 69.83 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.878 1.323 . . . . 0.0 108.512 -173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 53' ' ' ASP . 32.6 m -68.01 -45.93 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.747 0 CA-C-N 112.363 -2.199 . . . . 0.0 116.197 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -69.13 -37.43 78.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.046 1.748 . . . . 0.0 113.261 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.44 -27.2 61.3 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.786 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 24' ' ' ILE . . . -71.27 -44.55 65.03 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 131.476 3.91 . . . . 0.0 115.276 163.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -68.05 -51.59 45.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 121.272 -0.892 . . . . 0.0 109.122 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.25 -30.83 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.199 -1.364 . . . . 0.0 113.965 165.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 -58.38 14.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 128.63 3.014 . . . . 0.0 109.33 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.273 19.0 tptt -69.94 -34.54 73.57 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 126.441 1.896 . . . . 0.0 114.944 172.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 30' ' ' LEU . 2.9 ttt-85 -56.04 -48.38 76.11 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 120.146 1.339 . . . . 0.0 109.888 -168.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.33 -47.72 69.66 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 124.07 1.89 . . . . 0.0 110.073 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.681 ' CB ' HD12 ' A' ' 30' ' ' LEU . 15.1 mt -67.69 -32.09 72.51 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 111.72 -2.491 . . . . 0.0 115.971 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 4.8 mt-10 -75.25 -31.55 60.83 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 130.265 3.426 . . . . 0.0 112.026 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.52 -27.84 67.32 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.845 158.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -93.17 21.13 6.17 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.803 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.24 -26.37 60.63 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.556 1.543 . . . . 0.0 113.375 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -82.46 127.93 33.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.668 1.987 . . . . 0.0 112.102 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -130.19 126.0 36.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.502 1.121 . . . . 0.0 113.752 -168.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.2 t 57.48 -57.02 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 129.318 3.047 . . . . 0.0 115.814 -170.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -145.55 -28.6 0.44 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.96 2.504 . . . . 0.0 113.428 -169.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -164.01 -54.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.51 1.524 . . . . 0.0 112.508 -175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.0 p -168.55 20.78 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -162.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.383 1.473 . . . . 0.0 112.666 -165.097 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -62.61 147.18 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.961 1.304 . . . . 0.0 114.099 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -63.66 160.55 16.7 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.611 1.165 . . . . 0.0 113.062 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.9 mtt -136.3 134.85 38.41 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.229 1.412 . . . . 0.0 111.489 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.6 mt -71.67 -28.02 63.45 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -173.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.35 1.6 1.79 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.868 1.267 . . . . 0.0 114.054 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 53.97 35.16 21.29 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.564 1.546 . . . . 0.0 113.877 -169.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -136.57 136.78 39.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.38 1.872 . . . . 0.0 111.225 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -57.62 -31.25 66.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.037 2.135 . . . . 0.0 116.035 -161.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -74.34 -10.38 59.53 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -173.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -58.51 -32.93 69.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 118.553 -1.259 . . . . 0.0 111.523 -170.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.461 0.0 OUTLIER -81.68 -22.12 37.66 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 117.7 2.481 . . . . 0.0 117.7 179.616 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -92.43 -22.58 19.54 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.691 2.396 . . . . 0.0 114.549 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -74.6 -38.16 62.67 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.303 -1.498 . . . . 0.0 111.606 161.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.61 3.06 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.273 2.229 . . . . 0.0 114.12 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 17' ' ' ILE . 3.8 m -58.93 -28.42 66.22 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 128.431 2.693 . . . . 0.0 114.031 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 16' ' ' SER . 1.8 mp -117.61 -1.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.536 0 C-N-CA 127.613 2.365 . . . . 0.0 111.148 -173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.14 -21.89 49.64 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.719 2.008 . . . . 0.0 113.742 -166.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -127.49 -59.47 1.22 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 111.599 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -57.17 -48.4 78.83 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -166.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.6 mmm -58.38 -37.46 75.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.743 1.217 . . . . 0.0 113.265 -174.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -39.01 56.59 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 123.424 0.535 . . . . 0.0 112.105 169.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HE2' HD22 ' A' ' 36' ' ' LEU 0.284 0.0 OUTLIER -61.23 -43.26 99.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.073 1.349 . . . . 0.0 109.847 -177.989 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 61' ' ' LEU . 4.7 pt -71.45 -45.63 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 169.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.91 65.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.53 0.604 . . . . 0.0 111.579 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -108.11 12.49 26.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.954 2.101 . . . . 0.0 113.571 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.551 ' SG ' HD11 ' A' ' 68' ' ' LEU . 28.6 p -69.12 -21.73 64.01 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 119.215 -2.178 . . . . 0.0 114.267 -168.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 60.71 -4.69 0.12 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 130.233 3.413 . . . . 0.0 116.436 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 p -153.91 137.03 15.57 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 125.986 1.714 . . . . 0.0 107.669 -169.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.53 -36.44 76.4 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 122.873 1.321 . . . . 0.0 109.614 175.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.27 -34.93 75.98 Favored 'General case' 0 N--CA 1.425 -1.675 0 C-N-CA 125.728 1.611 . . . . 0.0 111.784 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -42.09 46.24 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.453 163.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 68' ' ' LEU . 13.8 tp -58.76 -42.66 89.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 120.498 2.149 . . . . 0.0 113.531 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.43 -33.14 70.89 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 129.914 3.286 . . . . 0.0 114.55 167.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -74.45 -38.59 62.95 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.638 1.175 . . . . 0.0 111.481 168.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD22 ' HE2' ' A' ' 23' ' ' LYS . 19.1 mt -61.68 -37.2 83.21 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.766 1.226 . . . . 0.0 110.139 167.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.56 -45.63 78.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 124.975 1.31 . . . . 0.0 111.306 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.59 82.71 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.833 170.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.4 73.55 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.779 -1.201 . . . . 0.0 111.653 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.55 -56.41 22.3 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.905 1.682 . . . . 0.0 108.563 168.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -38.29 81.97 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.976 -1.077 . . . . 0.0 113.565 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 59.4 mmtt -67.23 -41.2 86.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 129.154 2.982 . . . . 0.0 113.311 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -70.46 -38.37 74.44 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 171.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.45 -35.69 73.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.529 -1.357 . . . . 0.0 114.143 -166.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 34.7 pttt -63.25 -32.02 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.44 -11.18 52.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.482 3.113 . . . . 0.0 111.203 -167.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 t -138.34 -92.55 0.2 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.327 167.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.25 -35.19 0.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 165.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER 43.95 164.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 123.475 1.607 . . . . 0.0 115.046 -148.611 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -121.21 173.99 6.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.357 178.313 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -53.45 -44.05 68.58 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 122.248 1.023 . . . . 0.0 109.867 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -59.49 -41.98 91.06 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.333 1.453 . . . . 0.0 114.278 -170.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' OD1' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.71 -51.14 52.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.822 1.646 . . . . 0.0 108.936 171.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.35 -45.87 91.95 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.432 1.493 . . . . 0.0 113.116 -161.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -46.36 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.945 0.898 . . . . 0.0 111.999 177.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -49.77 70.44 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.754 -174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -67.9 -46.08 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 0 CA-C-N 113.01 -1.904 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -69.3 -36.15 76.73 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 122.357 2.344 . . . . 0.0 111.737 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.27 -30.83 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.89 -1.124 . . . . 0.0 112.031 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -49.51 40.45 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 130.075 3.35 . . . . 0.0 116.366 170.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 HG21 ' A' ' 24' ' ' ILE . 3.1 tt -70.43 -51.65 27.88 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.571 3.548 . . . . 0.0 110.703 -178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -30.48 71.17 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 159.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.19 -57.35 10.27 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 127.906 2.67 . . . . 0.0 110.366 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -34.67 74.09 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 128.652 2.781 . . . . 0.0 113.216 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.646 ' HG3' HD11 ' A' ' 30' ' ' LEU . 3.9 ttt-85 -55.91 -48.8 75.01 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.983 0.913 . . . . 0.0 109.524 -174.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.21 -36.22 75.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.35 -47.67 69.76 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.708 1.242 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.683 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.8 mt -67.61 -33.06 74.23 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 112.179 -2.282 . . . . 0.0 115.647 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 6.7 mt-10 -75.29 -32.34 60.98 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 130.183 3.393 . . . . 0.0 111.366 173.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -72.64 -11.26 60.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 111.163 159.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 68' ' ' LEU . 1.7 t -113.02 21.58 15.25 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.121 1.368 . . . . 0.0 113.695 172.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.57 -22.73 23.27 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.686 1.594 . . . . 0.0 114.753 -167.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.99 -23.15 63.1 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -172.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 39.48 40.01 0.55 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 129.657 3.183 . . . . 0.0 115.423 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.3 t -135.69 137.79 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.896 2.079 . . . . 0.0 108.02 161.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 56.72 -34.49 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 131.193 3.797 . . . . 0.0 118.979 171.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.8 -32.72 62.07 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.138 1.775 . . . . 0.0 110.557 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.2 p -146.25 145.43 30.39 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.532 2.333 . . . . 0.0 109.819 162.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.2 p90 . . . . . 0 C--O 1.256 1.419 0 CA-C-O 117.653 -1.165 . . . . 0.0 112.574 -168.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -59.39 153.31 19.34 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.429 1.092 . . . . 0.0 113.689 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -134.06 -0.91 3.01 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.49 157.28 38.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.018 1.327 . . . . 0.0 113.269 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.5 mt -79.07 -20.45 48.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.978 1.311 . . . . 0.0 113.887 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 tp 54.45 23.11 4.26 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 126.949 2.099 . . . . 0.0 114.575 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -154.07 110.35 3.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.73 2.012 . . . . 0.0 110.507 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.16 -18.83 65.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -78.09 -33.07 50.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.76 -44.0 82.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.315 -1.491 . . . . 0.0 113.589 -150.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -67.03 -32.89 74.41 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.775 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.6 mp -72.52 -35.83 68.19 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.168 0.987 . . . . 0.0 112.668 171.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -82.68 -18.72 39.96 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.49 -0.756 . . . . 0.0 111.566 -171.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.98 -37.43 55.16 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.306 1.842 . . . . 0.0 114.205 157.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -55.55 -36.21 66.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 126.152 1.781 . . . . 0.0 113.505 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -32.69 69.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.711 2.404 . . . . 0.0 113.666 -163.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 9.9 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 127.821 2.448 . . . . 0.0 110.193 -156.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.09 -21.5 39.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.506 1.922 . . . . 0.0 114.075 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.64 -57.95 0.99 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.575 1.15 . . . . 0.0 112.844 -177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.47 -44.34 84.76 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.953 0.797 . . . . 0.0 112.996 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.41 -33.57 69.8 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.894 -1.129 . . . . 0.0 112.093 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.07 -39.05 54.66 Favored Glycine 0 C--O 1.22 -0.756 0 C-N-CA 125.076 1.322 . . . . 0.0 111.457 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.261 0.1 OUTLIER -67.7 -43.4 80.17 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.121 1.368 . . . . 0.0 108.459 -174.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.85 -41.78 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 169.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.49 -22.77 67.08 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.344 -0.847 . . . . 0.0 112.238 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 t -101.82 12.28 37.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.767 2.027 . . . . 0.0 113.08 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 68' ' ' LEU . 21.0 p -70.65 -18.77 62.85 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 119.96 -1.712 . . . . 0.0 111.962 -163.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 56.34 -3.21 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.298 1 C-N-CA 131.899 4.08 . . . . 0.0 117.067 167.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -154.05 142.45 20.63 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 129.121 2.969 . . . . 0.0 106.373 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.652 HD12 ' CB ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -71.84 -34.96 69.71 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 118.012 -1.475 . . . . 0.0 109.535 172.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.62 -35.08 78.41 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 126.109 1.764 . . . . 0.0 110.773 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.92 -42.04 46.63 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 116.468 1.347 . . . . 0.0 116.468 163.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD11 ' HG ' ' A' ' 61' ' ' LEU . 10.9 tp -58.78 -41.43 86.63 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 119.936 1.868 . . . . 0.0 113.857 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.27 -33.37 73.43 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 129.623 3.169 . . . . 0.0 114.292 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.42 -39.13 62.81 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.167 0.987 . . . . 0.0 111.513 169.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.6 -37.21 83.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.332 1.853 . . . . 0.0 108.956 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -67.98 -45.98 72.62 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.371 1.068 . . . . 0.0 111.574 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.05 77.33 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.001 171.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -32.94 74.43 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.536 -1.352 . . . . 0.0 112.219 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.55 -56.18 25.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.971 1.309 . . . . 0.0 109.571 167.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 mmpt? -59.89 -37.42 79.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.077 -1.015 . . . . 0.0 113.158 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -65.57 -42.13 92.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 129.485 3.114 . . . . 0.0 112.382 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -70.31 -45.9 65.32 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.11 -24.22 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 126.966 2.106 . . . . 0.0 116.428 -162.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.53 -30.77 33.05 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 -11.22 58.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 131.328 3.851 . . . . 0.0 111.514 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 t -148.4 -147.2 0.22 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.273 1.429 . . . . 0.0 111.706 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -138.52 40.52 2.22 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.691 1.996 . . . . 0.0 111.692 -152.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -43.36 110.78 0.21 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.486 1.514 . . . . 0.0 109.309 168.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 166.7 19.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 112.918 -1.946 . . . . 0.0 109.704 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -53.67 -43.64 69.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.118 0.485 . . . . 0.0 112.263 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.355 1.062 . . . . 0.0 113.515 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.73 -47.49 84.98 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.614 ' HB2' HD11 ' A' ' 49' ' ' LEU . 49.5 t0 -62.02 -46.6 88.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.82 -167.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -46.57 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 119.557 -0.857 . . . . 0.0 113.299 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -49.92 69.05 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.153 0.978 . . . . 0.0 111.918 -171.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -46.1 82.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 113.956 -1.474 . . . . 0.0 113.285 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -68.32 -37.8 80.93 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.381 0.991 . . . . 0.0 110.638 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.43 -30.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.912 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.9 65.93 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 128.964 2.906 . . . . 0.0 115.872 168.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 24' ' ' ILE . 8.8 tt -67.43 -51.59 49.8 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.24 2.216 . . . . 0.0 109.67 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.65 71.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.837 0.855 . . . . 0.0 112.914 164.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.15 -57.09 16.06 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 129.335 3.35 . . . . 0.0 109.513 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.251 5.5 tttt -69.81 -34.77 74.14 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 127.006 2.123 . . . . 0.0 113.369 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 30' ' ' LEU . 5.9 ttt180 -56.12 -49.39 74.03 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -173.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.28 74.0 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.577 -0.702 . . . . 0.0 112.612 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.29 -47.83 69.45 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 123.67 1.7 . . . . 0.0 109.839 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' CB ' HD12 ' A' ' 30' ' ' LEU . 16.7 mt -67.58 -32.63 73.52 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 112.218 -2.265 . . . . 0.0 115.203 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.6 mt-10 -75.04 -32.03 61.46 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 110.71 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.37 -32.09 70.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.966 159.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -73.5 -36.86 65.82 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 47.12 -13.86 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 1 C-N-CA 133.854 4.862 . . . . 0.0 117.292 -170.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 41.99 -148.77 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.605 2.362 . . . . 0.0 111.817 -171.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.31 132.34 0.11 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.254 2.622 . . . . 0.0 112.344 133.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t 56.55 -52.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 129.346 3.058 . . . . 0.0 116.099 -167.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -149.54 -34.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 128.216 2.606 . . . . 0.0 112.958 -165.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -153.07 -59.43 0.14 Allowed 'General case' 0 C--N 1.347 0.48 0 C-N-CA 126.55 1.94 . . . . 0.0 111.402 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.8 m -165.68 23.78 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.856 1.262 . . . . 0.0 113.896 -166.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.256 1.396 0 C-N-CA 126.015 1.726 . . . . 0.0 114.777 -170.088 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.93 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -69.54 -16.98 63.53 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -149.7 166.83 28.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.2 1.8 . . . . 0.0 112.029 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.08 156.55 14.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.861 1.264 . . . . 0.0 113.006 173.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.5 -29.46 70.73 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.5 tp 60.86 -25.14 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 129.231 3.012 . . . . 0.0 117.004 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -147.92 134.4 19.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.252 2.221 . . . . 0.0 110.36 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -62.13 -28.26 69.51 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -57.93 -31.25 66.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.901 2.08 . . . . 0.0 115.827 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.97 -12.65 61.66 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.632 -1.292 . . . . 0.0 114.139 -167.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -32.93 69.13 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.065 0.459 . . . . 0.0 111.259 171.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -23.39 39.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -90.93 -23.14 20.56 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 125.325 1.45 . . . . 0.0 112.177 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.21 -34.84 59.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.375 1.47 . . . . 0.0 112.782 160.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -36.24 71.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.844 2.058 . . . . 0.0 114.142 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -58.86 -33.44 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 128.072 2.549 . . . . 0.0 113.089 -162.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.4 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.27 6.11 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 C-N-CA 127.425 2.29 . . . . 0.0 110.57 -154.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.4 -34.19 74.14 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.77 2.028 . . . . 0.0 113.963 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -138.7 -28.85 0.81 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.036 1.334 . . . . 0.0 114.259 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -47.34 82.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.665 1.986 . . . . 0.0 112.771 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG3' HG13 ' A' ' 17' ' ' ILE . 9.7 mmm -58.35 -33.15 69.23 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 119.905 -1.747 . . . . 0.0 112.019 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -39.04 54.85 Favored Glycine 0 C--O 1.22 -0.767 0 CA-C-O 119.47 -0.628 . . . . 0.0 111.717 169.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.278 1.1 ptmt -65.09 -43.31 92.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 125.004 1.321 . . . . 0.0 107.91 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG21 HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -71.57 -42.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.82 66.88 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.124 -0.985 . . . . 0.0 112.218 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -111.18 12.5 21.84 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.115 2.166 . . . . 0.0 113.87 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 68' ' ' LEU . 29.7 p -64.18 -17.64 63.71 Favored 'General case' 0 CA--C 1.554 1.129 0 O-C-N 120.632 -1.292 . . . . 0.0 114.13 -167.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 59.89 -7.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 131.226 3.81 . . . . 0.0 117.444 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -153.98 139.89 18.19 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 126.374 1.87 . . . . 0.0 107.169 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -69.64 -36.13 75.83 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.833 175.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.06 -34.79 78.34 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 126.002 1.721 . . . . 0.0 111.444 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.93 -41.81 47.45 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 116.606 1.402 . . . . 0.0 116.606 162.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 68' ' ' LEU . 12.2 tp -58.79 -39.87 82.35 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 119.842 1.821 . . . . 0.0 113.534 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.96 -33.53 75.59 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 129.947 3.299 . . . . 0.0 114.559 168.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.28 -38.73 63.33 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.508 1.123 . . . . 0.0 111.405 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.78 -37.09 83.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.209 1.404 . . . . 0.0 109.957 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -66.91 -43.98 81.95 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 125.016 1.326 . . . . 0.0 112.028 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.5 79.23 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.363 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.5 73.76 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 120.352 -1.468 . . . . 0.0 112.343 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' O ' HG13 ' A' ' 44' ' ' VAL . 13.2 t80 -59.76 -56.32 23.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.289 1.836 . . . . 0.0 108.876 167.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 6.4 mmpt? -61.15 -36.29 79.39 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.295 -0.878 . . . . 0.0 113.3 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -66.82 -40.78 88.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 129.771 3.228 . . . . 0.0 113.125 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -70.18 -43.42 70.83 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 40' ' ' TYR 0.326 0.7 OUTLIER -73.65 -12.04 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 122.322 2.328 . . . . 0.0 114.418 -155.931 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -25.76 34.78 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.792 2.037 . . . . 0.0 115.644 164.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.86 -21.62 60.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.581 2.753 . . . . 0.0 111.393 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 t -129.69 -118.5 0.23 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.892 1.677 . . . . 0.0 109.284 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.262 4.6 pt-20 -143.14 -26.2 0.59 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 167.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.446 0.0 OUTLIER 38.91 -179.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.201 1.801 . . . . 0.0 115.742 -152.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 168.63 19.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.523 -1.671 . . . . 0.0 109.66 176.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.18 -43.17 74.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.808 0.813 . . . . 0.0 110.461 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -59.76 -32.59 70.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.432 1.493 . . . . 0.0 114.969 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.45 -51.41 14.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.646 0.736 . . . . 0.0 109.127 167.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.18 -46.69 76.48 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.203 -1.362 . . . . 0.0 111.839 -158.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.62 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 121.968 0.89 . . . . 0.0 111.658 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -49.96 68.76 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.99 -167.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -46.05 82.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.625 175.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.72 76.68 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 120.671 1.578 . . . . 0.0 110.88 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.43 -33.06 75.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.292 -0.963 . . . . 0.0 112.845 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -42.16 68.4 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 129.578 3.151 . . . . 0.0 115.655 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 24' ' ' ILE . 8.7 tt -66.45 -51.58 55.39 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.36 2.264 . . . . 0.0 109.749 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.66 68.76 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.25 1.42 . . . . 0.0 112.593 164.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.99 32.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 128.645 3.021 . . . . 0.0 109.006 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -34.61 74.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 126.204 1.802 . . . . 0.0 113.926 172.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.634 ' HG3' HD11 ' A' ' 30' ' ' LEU . 12.0 ttt-85 -56.7 -48.0 78.67 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.579 -1.326 . . . . 0.0 110.433 -171.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.3 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.12 -47.69 70.36 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.003 1.382 . . . . 0.0 109.615 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.659 ' CB ' HD12 ' A' ' 30' ' ' LEU . 13.9 mt -67.53 -33.05 74.27 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 111.953 -2.385 . . . . 0.0 115.485 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.09 -32.85 61.56 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.675 3.19 . . . . 0.0 111.974 174.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -17.58 63.64 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.158 158.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 7.0 t -105.08 22.67 14.91 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.2 1.0 . . . . 0.0 113.642 172.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.77 -24.58 23.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.29 1.436 . . . . 0.0 112.643 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.79 73.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 128.061 2.544 . . . . 0.0 112.405 165.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -82.11 169.3 16.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.026 1.73 . . . . 0.0 114.648 -169.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.82 137.37 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.438 1.895 . . . . 0.0 112.929 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 62.47 -32.74 0.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 131.037 3.735 . . . . 0.0 117.542 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -73.46 -30.04 62.92 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.157 1.383 . . . . 0.0 110.771 176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.2 p -148.51 8.26 0.79 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 168.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 124.027 0.931 . . . . 0.0 112.467 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 CA-C-O 121.299 0.388 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -73.57 -10.08 59.34 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -57.83 136.93 57.04 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.518 1.127 . . . . 0.0 113.768 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -157.97 162.91 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.17 1.788 . . . . 0.0 111.838 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.85 -45.5 67.62 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.897 0.879 . . . . 0.0 111.994 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -162.38 -38.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 128.446 2.699 . . . . 0.0 109.186 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -134.22 155.62 49.82 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.909 2.084 . . . . 0.0 111.378 165.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.69 -23.65 67.25 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -68.91 -31.23 69.98 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.466 1.906 . . . . 0.0 114.456 -175.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.22 -13.44 60.79 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.135 1.774 . . . . 0.0 114.471 -163.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.83 68.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.7 -22.42 40.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -93.79 -23.98 17.96 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.936 1.694 . . . . 0.0 112.511 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.74 -26.54 54.73 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.622 1.569 . . . . 0.0 113.384 159.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.27 90.95 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.069 1.747 . . . . 0.0 113.224 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m -58.96 -33.25 70.42 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.838 -1.983 . . . . 0.0 112.863 -154.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.95 3.98 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 C-N-CA 127.133 2.173 . . . . 0.0 111.066 -153.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.87 -31.85 66.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.182 1.793 . . . . 0.0 113.77 -172.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.39 -33.04 0.75 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -48.77 78.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.46 2.304 . . . . 0.0 112.19 -176.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mmm -58.99 -32.77 69.98 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 119.899 -1.751 . . . . 0.0 112.393 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 -38.91 53.33 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 123.556 0.598 . . . . 0.0 111.838 168.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.295 0.4 OUTLIER -63.72 -43.33 96.85 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 120.873 -1.369 . . . . 0.0 109.835 -175.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 61' ' ' LEU . 1.9 pt -71.56 -54.75 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 166.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.47 -22.13 61.86 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.068 -1.02 . . . . 0.0 113.104 -172.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.5 t -111.23 12.49 21.76 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.942 2.097 . . . . 0.0 114.114 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.21 -33.02 51.08 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.52 -1.362 . . . . 0.0 114.494 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 76.03 -3.91 2.47 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 128.559 2.744 . . . . 0.0 114.035 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 p -147.48 137.95 23.27 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 125.346 1.458 . . . . 0.0 108.132 -175.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -71.76 -34.94 69.9 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.441 1.591 . . . . 0.0 109.795 176.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.91 -35.39 72.98 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.015 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.68 51.19 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 116.655 1.422 . . . . 0.0 116.655 165.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.509 HD22 HD12 ' A' ' 68' ' ' LEU . 9.3 tp -58.92 -41.75 88.05 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.827 -1.396 . . . . 0.0 112.413 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.0 -32.75 74.64 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 130.189 3.396 . . . . 0.0 114.799 169.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.68 -43.37 59.53 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.526 1.13 . . . . 0.0 110.521 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -37.15 82.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.324 1.85 . . . . 0.0 110.659 168.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.18 -43.13 99.09 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.941 1.246 . . . . 0.0 111.344 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.77 69.67 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.981 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -33.24 74.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.676 1.58 . . . . 0.0 111.652 -174.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -59.53 -56.28 23.91 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.794 2.038 . . . . 0.0 109.414 170.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 8.1 mmpt? -62.0 -35.8 79.61 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -66.96 -40.19 87.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.568 3.147 . . . . 0.0 112.69 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -70.2 -45.26 66.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.29 1.836 . . . . 0.0 115.116 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 40' ' ' TYR . 3.0 t -46.35 -38.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 128.157 2.583 . . . . 0.0 114.681 -168.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.85 -34.05 30.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.76 -16.32 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 130.06 3.344 . . . . 0.0 112.011 -177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -147.54 -144.13 0.15 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.281 1.433 . . . . 0.0 109.601 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -129.47 58.2 1.63 Allowed 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 125.505 1.522 . . . . 0.0 112.481 -161.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -68.17 86.72 0.27 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.918 1.342 . . . . 0.0 111.575 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.32 166.21 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.794 -1.548 . . . . 0.0 112.824 156.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -62.56 -35.02 78.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -61.45 -44.74 96.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.755 2.022 . . . . 0.0 112.655 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -61.05 -47.2 87.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.36 -46.59 89.39 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.359 -163.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.72 78.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 172.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -49.94 68.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.638 1.209 . . . . 0.0 109.655 -172.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -45.92 82.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 C-N-CA 126.645 1.978 . . . . 0.0 113.718 173.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.39 -41.67 97.49 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.2 1.818 . . . . 0.0 112.544 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.75 0.786 . . . . 0.0 110.735 -171.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.83 69.39 Favored 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 129.74 3.216 . . . . 0.0 116.758 166.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 24' ' ' ILE 0.252 6.4 tt -70.66 -51.62 26.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 128.027 2.531 . . . . 0.0 110.495 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.58 69.35 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 159.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.19 31.74 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 127.004 2.24 . . . . 0.0 109.349 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 25.8 tptt -69.83 -34.62 73.9 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 127.312 2.245 . . . . 0.0 114.372 173.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.618 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -55.99 -47.48 77.62 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 119.972 -1.705 . . . . 0.0 109.609 -168.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.26 76.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.28 -47.77 69.66 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 123.328 1.537 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.707 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.263 15.4 mt -67.34 -32.25 73.07 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 112.205 -2.271 . . . . 0.0 114.719 -177.821 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.2 mt-10 -75.32 -31.64 60.69 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 129.907 3.283 . . . . 0.0 111.975 172.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.21 -11.04 60.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.69 1.196 . . . . 0.0 111.627 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -112.22 24.06 13.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.579 1.552 . . . . 0.0 113.106 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.76 -17.47 56.07 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.257 1.423 . . . . 0.0 114.01 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -126.0 129.47 49.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.708 2.403 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -136.28 128.62 30.14 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -158.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 t 58.08 -56.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 128.614 2.766 . . . . 0.0 114.867 -166.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.63 -40.19 0.2 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 129.106 2.962 . . . . 0.0 112.611 -171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.28 -55.32 0.09 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.469 2.708 . . . . 0.0 109.897 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.0 p -153.84 162.35 41.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 0.0 110.754 172.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.588 1.155 . . . . 0.0 111.503 178.661 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -135.68 13.25 3.43 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.871 1.268 . . . . 0.0 113.977 -171.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -97.69 -16.06 20.11 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 124.838 1.255 . . . . 0.0 114.18 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mpp? 55.01 177.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.822 2.049 . . . . 0.0 114.273 -172.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.03 -21.21 59.21 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -166.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -152.26 -50.02 0.11 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.313 1.445 . . . . 0.0 111.929 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -149.44 -52.12 0.15 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.87 1.268 . . . . 0.0 113.146 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -158.22 -61.13 0.08 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.759 0.824 . . . . 0.0 113.014 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.7 -31.38 70.65 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -157.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -72.53 -16.32 61.77 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.521 -1.362 . . . . 0.0 114.266 -160.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -32.91 69.06 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.247 -0.283 . . . . 0.0 111.509 172.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -23.39 37.31 Favored 'General case' 0 C--O 1.227 -0.11 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -95.79 -18.2 20.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.156 1.382 . . . . 0.0 112.401 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.46 -41.07 48.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.663 1.585 . . . . 0.0 111.724 159.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.24 -36.27 41.01 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.007 1.723 . . . . 0.0 114.437 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -58.76 -32.12 68.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.931 2.492 . . . . 0.0 113.176 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' HG3' ' A' ' 21' ' ' MET . 0.2 OUTLIER -137.9 7.87 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.487 0 C-N-CA 126.572 1.949 . . . . 0.0 110.734 -155.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.91 -30.39 65.32 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.894 1.677 . . . . 0.0 114.419 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -135.22 -39.06 0.76 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 114.058 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.16 -48.88 77.6 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.428 1.891 . . . . 0.0 112.669 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' HG13 ' A' ' 17' ' ' ILE . 14.3 mmm -58.62 -30.19 67.06 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 119.968 -1.708 . . . . 0.0 112.19 176.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.89 -38.91 55.9 Favored Glycine 0 C--O 1.223 -0.591 0 C-N-CA 124.169 0.89 . . . . 0.0 112.01 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 1.4 ptmt -66.06 -43.2 88.11 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.493 1.517 . . . . 0.0 107.932 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 61' ' ' LEU . 8.3 pt -71.62 -41.75 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 118.598 2.814 . . . . 0.0 118.598 163.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.77 66.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.635 -1.916 . . . . 0.0 110.348 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -111.31 12.45 21.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.145 1.778 . . . . 0.0 113.481 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 33' ' ' LEU . 30.6 p -72.14 107.34 4.76 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -175.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 9.21 2.28 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 119.076 -2.265 . . . . 0.0 113.975 -164.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 p -154.14 141.08 19.25 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 125.92 1.688 . . . . 0.0 108.62 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -72.77 -35.08 67.37 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 123.358 1.552 . . . . 0.0 110.103 172.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.69 -35.48 74.57 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 125.759 1.624 . . . . 0.0 111.511 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.78 -42.19 47.06 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 164.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD22 HD12 ' A' ' 68' ' ' LEU . 13.1 tp -58.59 -39.68 81.09 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 120.121 1.96 . . . . 0.0 113.523 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.07 -33.1 75.0 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 130.039 3.335 . . . . 0.0 113.767 170.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.36 -38.71 63.13 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.952 1.301 . . . . 0.0 111.561 168.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.62 -37.35 83.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.065 1.746 . . . . 0.0 108.675 167.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -69.64 -39.85 76.88 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.465 1.506 . . . . 0.0 112.148 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.19 73.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 169.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -32.06 73.34 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.587 -1.32 . . . . 0.0 111.84 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.41 -56.52 21.01 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 126.229 1.812 . . . . 0.0 109.081 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 5.5 mmpt? -60.3 -37.77 81.57 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.081 -1.012 . . . . 0.0 113.564 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 59.0 mmtt -67.1 -46.38 74.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 128.914 2.886 . . . . 0.0 112.777 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.33 -37.81 74.76 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.33 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 119.182 -2.199 . . . . 0.0 114.975 -165.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 31.6 pttt -72.41 -33.65 67.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.523 1.529 . . . . 0.0 115.05 168.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.89 -21.85 56.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 128.869 2.868 . . . . 0.0 111.154 -170.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -146.22 -134.73 0.08 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.172 -1.376 . . . . 0.0 113.254 -177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.33 45.03 1.97 Allowed 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 112.641 -149.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 54' ' ' ASP . 1.6 tm? -53.1 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 124.079 1.895 . . . . 0.0 109.759 155.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' H ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -61.4 170.15 1.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 113.131 -1.85 . . . . 0.0 110.482 155.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.06 -38.49 82.98 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.298 -0.876 . . . . 0.0 112.562 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.9 m -59.45 -48.12 82.85 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 125.314 1.446 . . . . 0.0 113.259 -172.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.76 -47.2 87.39 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 49' ' ' LEU . 25.5 t70 -61.75 -46.51 89.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.827 -166.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -46.4 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -49.67 69.97 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.531 1.158 . . . . 0.0 111.899 -172.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -45.58 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 CA-C-N 113.483 -1.689 . . . . 0.0 111.986 175.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.71 -42.06 95.53 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 119.805 1.184 . . . . 0.0 111.277 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.42 -29.86 70.09 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.591 -0.843 . . . . 0.0 111.364 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.34 -42.51 68.46 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 130.169 3.387 . . . . 0.0 116.459 166.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 24' ' ' ILE . 6.0 tt -70.59 -51.63 26.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 127.836 2.454 . . . . 0.0 109.588 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.67 68.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 160.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.32 -54.2 37.52 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 127.681 2.562 . . . . 0.0 109.905 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.71 -34.71 74.27 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 127.09 2.156 . . . . 0.0 111.941 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.642 ' HG3' HD11 ' A' ' 30' ' ' LEU . 4.4 ttt-85 -55.68 -46.91 77.52 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 120.671 -1.268 . . . . 0.0 110.071 -172.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -36.7 75.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.23 -47.95 69.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 123.591 1.663 . . . . 0.0 110.499 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.689 ' CB ' HD12 ' A' ' 30' ' ' LEU 0.273 15.9 mt -67.53 -32.05 72.57 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 111.627 -2.533 . . . . 0.0 115.491 -177.665 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 5.6 mt-10 -75.25 -31.5 60.82 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 130.348 3.459 . . . . 0.0 111.918 173.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -28.71 68.92 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.832 158.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -92.61 17.82 9.62 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 124.101 0.875 . . . . 0.0 113.08 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.18 -24.75 63.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.549 1.539 . . . . 0.0 112.929 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -110.17 118.33 36.09 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.8 2.04 . . . . 0.0 109.121 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -79.95 147.05 31.77 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.43 139.55 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.498 1.519 . . . . 0.0 113.065 -174.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 64.0 -16.52 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 130.625 3.57 . . . . 0.0 117.487 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.01 -27.77 64.95 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.691 0.678 . . . . 0.0 109.76 162.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -141.31 154.62 45.81 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.13 2.172 . . . . 0.0 109.696 157.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.3 p90 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 124.869 1.268 . . . . 0.0 112.328 -175.273 . . . . . . . . 0 0 . 1 stop_ save_