data_1r73_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 1r73 _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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m 49.47 -70.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 127.73 2.412 . . . . 0.0 109.406 -141.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.86 -51.1 71.01 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.135 1.374 . . . . 0.0 109.178 -166.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.42 -13.71 62.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.24 -12.16 18.2 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 119.812 1.187 . . . . 0.0 112.923 165.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -84.46 -23.84 29.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.27 1.428 . . . . 0.0 112.171 -170.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -58.41 162.55 3.63 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 118.924 0.784 . . . . 0.0 110.249 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 p -80.58 163.68 23.49 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.4 -0.813 . . . . 0.0 109.668 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.05 -26.9 61.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.476 1.489 . . . . 0.0 112.76 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.65 -39.4 31.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.732 2.013 . . . . 0.0 112.429 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.9 -46.64 65.0 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.005 -1.059 . . . . 0.0 110.757 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.1 mt -53.85 -57.89 9.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.937 1.695 . . . . 0.0 108.347 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -50.61 59.95 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.221 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.36 -11.79 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.53 -46.68 4.68 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.071 0.939 . . . . 0.0 108.874 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -75.1 -31.26 61.11 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.222 -173.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -57.0 -42.41 80.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.154 0.909 . . . . 0.0 109.893 165.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.49 -48.51 74.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.166 0.987 . . . . 0.0 109.804 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -55.88 -62.12 1.91 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 125.546 1.539 . . . . 0.0 108.255 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -47.61 -50.23 24.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 116.593 -1.67 . . . . 0.0 112.463 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -60.14 -55.78 29.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.162 1.347 . . . . 0.0 109.567 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.38 -49.55 13.0 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 126.359 1.863 . . . . 0.0 111.083 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.14 -50.57 70.74 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.8 mtt -64.72 -28.55 69.67 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.759 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -84.75 -35.83 22.17 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.673 1.124 . . . . 0.0 109.091 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.02 -49.26 70.87 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.06 0.944 . . . . 0.0 109.093 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -57.04 -36.67 70.76 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.016 -1.052 . . . . 0.0 111.115 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.87 -26.67 67.75 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.254 1.021 . . . . 0.0 111.374 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -81.06 -36.0 31.06 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 120.895 1.68 . . . . 0.0 108.091 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.6 -53.45 34.26 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.719 1.207 . . . . 0.0 109.754 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.36 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.509 1.924 . . . . 0.0 111.942 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp -82.55 -74.59 0.34 Allowed 'General case' 0 N--CA 1.432 -1.349 0 C-N-CA 123.07 0.548 . . . . 0.0 111.46 161.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.33 49.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.486 0 C-N-CA 124.956 1.265 . . . . 0.0 111.957 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -120.73 -60.1 1.69 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.146 1.778 . . . . 0.0 108.664 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.75 144.59 56.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.174 0.99 . . . . 0.0 109.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -141.5 -24.62 0.71 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -86.73 101.59 13.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.589 1.086 . . . . 0.0 109.955 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.2 p -81.93 -21.49 37.25 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 120.892 -1.13 . . . . 0.0 113.337 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 m -60.4 -38.92 85.5 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 119.224 0.92 . . . . 0.0 109.303 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.07 -49.68 74.97 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.35 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 119.675 1.125 . . . . 0.0 110.306 173.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.9 85.21 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.332 1.053 . . . . 0.0 112.943 -170.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.52 -43.68 89.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.641 2.376 . . . . 0.0 109.674 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.2 m -61.9 -42.43 99.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -54.56 -42.62 71.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 121.392 1.906 . . . . 0.0 114.063 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -45.91 90.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -174.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.53 -33.77 28.09 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.576 -173.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -50.06 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.293 0 O-C-N 119.891 -1.755 . . . . 0.0 107.776 166.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.01 73.33 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.089 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -57.64 11.16 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 120.555 1.525 . . . . 0.0 113.145 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.1 mt -54.03 -55.85 12.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.449 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.64 67.22 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.153 -1.592 . . . . 0.0 110.406 -176.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -62.76 -47.76 82.11 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.336 164.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mm -51.63 -49.85 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 120.887 1.676 . . . . 0.0 108.191 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -54.22 -53.07 58.6 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.175 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -56.23 11.12 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.302 0.956 . . . . 0.0 110.668 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.01 -40.03 63.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.277 1.431 . . . . 0.0 109.589 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -70.51 -29.33 65.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.544 0.737 . . . . 0.0 112.009 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -62.35 -55.48 27.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.051 0.94 . . . . 0.0 109.336 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -23.33 50.95 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.168 1.349 . . . . 0.0 113.811 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.78 2.95 14.19 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.717 -1.046 . . . . 0.0 113.818 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 N--CA 1.449 -0.508 0 CA-C-N 120.276 2.038 . . . . 0.0 110.433 -178.781 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 115.72 -2.086 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 m -46.21 -39.62 10.07 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 122.074 2.215 . . . . 0.0 110.892 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.35 -60.72 2.88 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.713 1.605 . . . . 0.0 112.947 172.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.68 -47.03 61.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 125.547 1.539 . . . . 0.0 109.637 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.78 63.33 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.888 0.875 . . . . 0.0 111.247 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -19.74 60.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 118.224 -0.893 . . . . 0.0 112.644 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . 0.268 38.5 m-85 -65.86 161.22 21.57 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 119.616 1.098 . . . . 0.0 109.405 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.63 160.59 25.02 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -35.63 60.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.66 1.573 . . . . 0.0 112.272 -171.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.09 -51.28 40.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.549 1.54 . . . . 0.0 112.197 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.37 -37.9 89.05 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.075 -1.015 . . . . 0.0 111.868 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.4 mt -53.48 -65.61 0.53 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.464 1.505 . . . . 0.0 107.367 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -41.96 79.98 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 116.911 -1.518 . . . . 0.0 111.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -65.11 -15.4 62.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 120.367 1.44 . . . . 0.0 113.163 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.39 -43.49 5.92 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.97 -28.98 49.55 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -172.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -59.81 -36.38 76.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.904 164.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.0 -51.5 61.32 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.772 0.715 . . . . 0.0 110.789 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -56.77 -56.95 15.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 120.547 -1.346 . . . . 0.0 107.512 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -48.21 -42.73 30.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 115.964 -1.97 . . . . 0.0 113.76 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -70.3 -50.36 40.16 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.836 2.107 . . . . 0.0 110.044 173.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -45.98 -44.93 15.39 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 126.87 2.068 . . . . 0.0 111.046 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.47 -54.88 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.001 -1.062 . . . . 0.0 111.752 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 53.1 mtt -65.7 -26.89 67.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.229 0.612 . . . . 0.0 112.368 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.56 -36.52 22.07 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.115 2.166 . . . . 0.0 111.077 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.59 -51.81 13.52 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -54.71 -31.87 58.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.473 0.578 . . . . 0.0 110.645 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -67.59 -36.27 80.56 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.404 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -77.9 -20.94 52.0 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 121.709 2.05 . . . . 0.0 108.491 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.93 -55.72 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.351 1.06 . . . . 0.0 110.429 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.44 20.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.632 1.973 . . . . 0.0 111.649 176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -75.8 0.19 Allowed 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 124.036 0.934 . . . . 0.0 109.425 165.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.3 31.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 114.731 0.653 . . . . 0.0 114.731 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -112.95 -37.01 4.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.538 2.735 . . . . 0.0 109.498 -164.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.68 123.88 22.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.039 1.736 . . . . 0.0 109.81 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -70.59 -36.26 73.47 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -166.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -155.84 162.46 40.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.453 1.479 . . . . 0.0 111.252 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -102.8 -13.14 17.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -63.36 -31.4 72.54 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 120.113 1.324 . . . . 0.0 110.534 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.94 -56.32 20.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.95 -44.58 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.631 0.772 . . . . 0.0 110.856 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -43.11 95.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.144 0.978 . . . . 0.0 112.441 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -30.49 70.06 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.884 1.674 . . . . 0.0 107.658 174.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -66.29 -54.46 24.5 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.68 -1.263 . . . . 0.0 108.509 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.426 0.0 OUTLIER -57.42 -23.64 50.71 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.357 1.89 . . . . 0.0 114.98 176.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -70.38 -48.58 55.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.606 1.548 . . . . 0.0 107.899 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.54 77.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.93 -50.91 76.3 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 119.755 1.161 . . . . 0.0 107.952 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.67 -4.75 32.99 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 119.077 0.853 . . . . 0.0 112.457 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -64.47 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.217 1.407 . . . . 0.0 108.903 165.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 mp -54.01 -54.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 125.403 1.481 . . . . 0.0 112.061 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -23.06 67.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 119.193 0.906 . . . . 0.0 111.248 -175.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -76.2 -43.25 43.26 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.584 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mm -46.35 -49.32 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.716 1.598 . . . . 0.0 111.467 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -52.57 -59.4 4.49 Favored 'General case' 0 C--O 1.223 -0.313 0 O-C-N 124.426 1.079 . . . . 0.0 108.424 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -50.0 59.49 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.252 1.421 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.22 -37.96 56.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.844 1.258 . . . . 0.0 111.911 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -69.8 -35.28 74.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.31 -55.18 36.83 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 125.524 1.765 . . . . 0.0 108.986 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -54.61 12.31 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.035 0.38 . . . . 0.0 111.3 -174.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.11 -3.75 0.58 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 -161.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm . . . . . 0 C--O 1.236 0.387 0 CA-C-N 119.381 1.59 . . . . 0.0 110.628 -171.423 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 m 62.82 -60.82 0.13 Allowed 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 127.386 2.274 . . . . 0.0 110.248 -147.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.92 -46.69 42.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.921 1.343 . . . . 0.0 109.847 -166.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 mt -81.16 -9.99 59.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.624 1.169 . . . . 0.0 111.962 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -3.64 39.77 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.33 -1.481 . . . . 0.0 110.639 165.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.2 -37.84 23.09 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 117.115 -1.421 . . . . 0.0 110.518 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.403 ' HB2' ' CD1' ' A' ' 14' ' ' LEU 0.336 14.1 m-85 -73.25 172.13 11.73 Favored 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 124.086 0.866 . . . . 0.0 110.42 -174.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.7 p -84.55 150.89 24.92 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -38.32 -38.34 0.35 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.207 1.803 . . . . 0.0 110.303 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.9 -41.38 91.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.06 1.744 . . . . 0.0 113.835 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.74 -39.58 35.8 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.35 1.86 . . . . 0.0 111.019 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -53.92 -66.59 0.37 Allowed 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 125.467 1.507 . . . . 0.0 107.831 173.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -45.85 29.5 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.783 1.628 . . . . 0.0 111.119 -174.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -68.19 -14.87 63.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.0 -44.72 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.527 1.531 . . . . 0.0 108.829 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -32.59 57.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -171.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.51 -36.76 71.97 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.209 0.943 . . . . 0.0 110.294 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.49 -51.01 65.18 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 122.983 0.513 . . . . 0.0 109.766 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -59.23 -56.87 16.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -46.94 -47.57 21.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 116.848 -1.548 . . . . 0.0 111.811 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -66.08 -53.33 39.59 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 119.436 1.017 . . . . 0.0 111.122 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.02 -41.6 59.91 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 119.833 1.197 . . . . 0.0 111.402 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 tp -53.57 -52.64 59.09 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.081 1.31 . . . . 0.0 110.836 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.4 mtp -65.88 -24.85 66.95 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.764 0.825 . . . . 0.0 113.086 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.24 -40.32 10.5 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.816 -1.177 . . . . 0.0 109.418 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.61 -38.61 91.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 119.915 -1.74 . . . . 0.0 109.786 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm85 -65.35 -23.69 67.06 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.251 -0.906 . . . . 0.0 111.274 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -73.79 -36.97 65.08 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.274 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -76.01 -34.22 59.7 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 121.297 1.862 . . . . 0.0 107.125 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.777 1.631 . . . . 0.0 111.129 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.09 69.45 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.636 1.174 . . . . 0.0 111.318 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -74.11 -26.31 60.27 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.756 0.822 . . . . 0.0 111.679 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.36 19.0 8.65 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 126.409 1.957 . . . . 0.0 114.235 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -111.8 -28.35 8.11 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 119.535 1.668 . . . . 0.0 111.985 -163.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 84.94 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.89 2.076 . . . . 0.0 111.24 172.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -84.33 -2.66 57.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.451 -165.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -127.59 96.61 4.59 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 120.256 1.389 . . . . 0.0 109.7 166.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -61.87 -20.65 63.94 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 m -62.72 -29.66 70.84 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 119.727 1.148 . . . . 0.0 111.889 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.52 -46.69 87.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.178 0.899 . . . . 0.0 108.817 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.63 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 118.613 0.642 . . . . 0.0 109.433 173.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -40.72 70.52 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.317 1.047 . . . . 0.0 112.252 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.76 -32.91 70.22 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.596 1.558 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -72.41 -49.16 35.78 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.002 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER -56.85 -29.12 62.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 122.445 2.384 . . . . 0.0 115.45 174.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -65.58 -39.56 91.75 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.28 -33.51 16.1 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.557 -1.211 . . . . 0.0 108.952 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.83 -53.99 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -25.06 65.73 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 117.811 -1.555 . . . . 0.0 111.069 -169.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -58.69 3.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.711 1.204 . . . . 0.0 111.165 170.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.1 -58.48 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 C-N-CA 126.256 1.823 . . . . 0.0 110.836 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -30.97 67.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.832 0.742 . . . . 0.0 110.507 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.8 m -67.45 -34.96 78.27 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.68 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mm -54.29 -49.53 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 122.15 2.25 . . . . 0.0 109.569 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.46 -56.19 14.64 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -47.33 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.005 0.922 . . . . 0.0 111.696 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.74 -38.45 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.339 0.656 . . . . 0.0 110.751 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.487 0.715 . . . . 0.0 111.182 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.111 0.965 . . . . 0.0 110.739 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -11.67 37.64 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.992 0.815 . . . . 0.0 112.027 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.34 43.99 18.6 Favored Glycine 0 N--CA 1.451 -0.32 0 O-C-N 121.387 -0.821 . . . . 0.0 112.951 -170.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm . . . . . 0 N--CA 1.441 -0.898 0 C-N-CA 125.061 1.345 . . . . 0.0 109.485 163.622 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m 32.82 -71.11 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 127.82 2.448 . . . . 0.0 110.077 -124.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 125.751 1.62 . . . . 0.0 111.596 -157.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.12 -1.74 27.58 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.455 -1.403 . . . . 0.0 113.256 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -108.78 -9.76 15.19 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 118.919 -2.363 . . . . 0.0 110.582 164.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -81.48 -32.84 32.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 117.503 -1.237 . . . . 0.0 111.193 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.496 ' HB2' ' CD1' ' A' ' 14' ' ' LEU 0.292 96.5 m-85 -65.32 174.16 2.24 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 120.199 1.363 . . . . 0.0 111.535 -176.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 p -78.2 147.88 34.27 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 160.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.26 -33.11 1.47 Allowed 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.666 1.986 . . . . 0.0 112.713 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.92 -47.77 61.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.268 1.427 . . . . 0.0 113.749 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -66.86 -32.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.762 1.225 . . . . 0.0 111.342 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 1.3 mm? -60.77 -65.95 0.61 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -42.91 72.97 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 120.595 1.543 . . . . 0.0 110.45 -173.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -67.89 -6.0 19.59 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -109.32 -44.66 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.134 1.374 . . . . 0.0 108.562 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -32.86 63.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.212 0.605 . . . . 0.0 109.675 -175.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.9 -36.43 67.66 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.317 0.647 . . . . 0.0 110.137 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.28 -41.21 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.107 0.479 . . . . 0.0 110.322 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 27.3 mmmt -60.42 -62.8 1.6 Allowed 'General case' 0 N--CA 1.443 -0.825 0 O-C-N 120.113 -1.617 . . . . 0.0 108.302 172.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -40.12 57.46 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.507 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -69.83 -50.35 43.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.511 1.505 . . . . 0.0 111.081 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.55 -40.42 51.86 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 125.194 1.397 . . . . 0.0 109.462 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.23 -47.85 69.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 120.985 -1.072 . . . . 0.0 112.848 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.3 mtt -66.42 -4.86 9.1 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.842 172.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -35.31 7.11 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.396 0.617 . . . . 0.0 111.125 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.82 -36.52 80.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 119.347 -2.096 . . . . 0.0 108.351 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -59.04 -33.78 71.17 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.275 -1.516 . . . . 0.0 111.81 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -35.87 73.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.936 1.294 . . . . 0.0 110.726 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.68 -41.74 75.04 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 120.433 1.47 . . . . 0.0 107.881 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.56 -53.05 61.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.241 0.616 . . . . 0.0 109.833 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -14.77 35.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.522 1.129 . . . . 0.0 112.806 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -40.55 12.55 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.473 1.109 . . . . 0.0 111.265 168.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.97 26.87 1.31 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 127.938 2.685 . . . . 0.0 113.564 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -118.83 -20.25 8.27 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.941 1.37 . . . . 0.0 111.936 -160.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 109.78 0.75 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.475 1.51 . . . . 0.0 114.061 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -58.44 85.5 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.421 2.288 . . . . 0.0 112.832 166.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 m120 61.54 123.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.803 2.841 . . . . 0.0 112.495 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -9.99 12.46 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 119.553 -1.967 . . . . 0.0 113.705 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -49.63 -39.5 36.12 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 120.897 -1.127 . . . . 0.0 111.986 162.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -48.75 80.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.777 1.231 . . . . 0.0 109.127 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -53.91 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 171.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -43.66 84.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.745 1.157 . . . . 0.0 112.386 -174.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.43 -34.08 75.35 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 125.795 1.638 . . . . 0.0 109.168 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -74.37 -42.89 58.55 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.21 -47.29 65.72 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.034 -1.666 . . . . 0.0 111.894 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -56.63 -37.2 70.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 110.349 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.88 -31.78 18.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.135 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -54.02 40.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 107.586 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.41 65.04 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.458 -170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -60.76 2.25 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.076 1.75 . . . . 0.0 109.623 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 ' CD1' ' HE2' ' A' ' 21' ' ' LYS . 28.5 mt -60.45 -52.4 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.557 1.543 . . . . 0.0 112.042 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.68 67.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.895 0.77 . . . . 0.0 110.271 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -62.96 -44.54 95.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 117.092 -1.432 . . . . 0.0 110.822 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -49.69 -47.52 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.628 1.558 . . . . 0.0 111.149 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.6 -53.91 48.35 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -48.76 63.82 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.96 -1.088 . . . . 0.0 112.463 174.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.51 -31.42 66.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.048 0.939 . . . . 0.0 111.493 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -69.25 -34.17 74.37 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.482 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.37 -61.3 2.31 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 118.522 -0.752 . . . . 0.0 109.543 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.7 176.74 7.43 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.03 17.06 1.4 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.127 -1.608 . . . . 0.0 116.545 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.7 mm . . . . . 0 N--CA 1.448 -0.526 0 CA-C-N 120.399 2.099 . . . . 0.0 112.57 -166.593 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 120.992 0.425 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m 44.81 -67.44 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 127.212 2.205 . . . . 0.0 110.141 -127.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -65.67 -44.62 85.73 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.206 -157.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -75.54 -9.2 58.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.846 1.658 . . . . 0.0 112.061 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.7 -5.21 29.2 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.59 1.156 . . . . 0.0 111.469 167.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.29 -27.74 20.34 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -164.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.423 ' HB2' ' CD1' ' A' ' 14' ' ' LEU . 84.1 m-85 -81.84 174.69 11.07 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.9 p -77.52 157.75 30.23 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 120.611 -1.306 . . . . 0.0 108.115 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.59 -33.03 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 128.096 2.558 . . . . 0.0 113.673 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -88.4 -29.83 19.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.43 -36.51 60.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 109.565 167.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -56.07 -63.05 1.31 Allowed 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 129.5 3.12 . . . . 0.0 104.815 177.124 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -46.06 85.3 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.784 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.85 -10.57 39.33 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.146 1.339 . . . . 0.0 113.7 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.14 -50.76 4.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.735 1.255 . . . . 0.0 108.061 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -78.52 -20.51 50.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.881 0.872 . . . . 0.0 110.725 -166.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.2 -38.52 85.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.339 1.456 . . . . 0.0 109.596 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.66 -46.14 63.79 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.425 1.012 . . . . 0.0 110.409 -170.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HE2' HD12 ' A' ' 53' ' ' ILE . 2.5 mmmm -54.39 -58.93 5.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -45.81 -45.72 14.99 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 116.922 -1.513 . . . . 0.0 113.543 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -70.44 -49.41 48.98 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 121.921 2.146 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -47.19 -47.34 24.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 110.364 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.63 -58.27 6.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.407 0.548 . . . . 0.0 110.549 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.2 -40.97 71.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.783 0.833 . . . . 0.0 111.788 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.46 -36.21 39.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.799 1.285 . . . . 0.0 108.559 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mp -69.6 -44.19 71.26 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.432 -0.793 . . . . 0.0 109.889 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -63.07 -27.31 69.31 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.509 -1.369 . . . . 0.0 111.794 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.77 -45.46 71.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.252 1.821 . . . . 0.0 110.766 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.21 -40.28 93.94 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 120.61 1.55 . . . . 0.0 107.724 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.33 -54.43 45.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.622 1.169 . . . . 0.0 110.529 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -40.62 81.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.14 1.376 . . . . 0.0 111.593 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -42.88 82.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.462 0.305 . . . . 0.0 111.072 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.47 41.28 0.33 Allowed Glycine 0 N--CA 1.44 -1.033 0 C-N-CA 127.389 2.423 . . . . 0.0 113.33 166.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -119.68 -25.76 5.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.575 1.187 . . . . 0.0 112.843 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -65.1 0.74 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 43.87 178.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.78 1.632 . . . . 0.0 112.263 -158.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 65.98 -53.55 0.39 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.028 2.131 . . . . 0.0 114.644 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p 65.95 -11.9 0.19 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.323 3.449 . . . . 0.0 116.163 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -48.97 -46.28 43.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 119.455 1.025 . . . . 0.0 111.153 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.91 -44.73 76.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.801 -0.619 . . . . 0.0 109.367 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.35 -46.79 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 119.337 0.971 . . . . 0.0 111.097 170.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.52 96.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 120.265 1.393 . . . . 0.0 110.139 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -33.12 74.97 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 121.168 -0.957 . . . . 0.0 108.595 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -65.3 -54.52 27.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.378 0.0 OUTLIER -51.53 -43.29 62.26 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 121.343 1.883 . . . . 0.0 115.297 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -59.22 -37.07 76.59 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.631 1.105 . . . . 0.0 110.324 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.54 -34.31 18.63 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 125.092 1.357 . . . . 0.0 108.471 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.19 -53.63 46.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.06 16.6 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.902 -1.124 . . . . 0.0 112.966 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.73 -58.98 2.33 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.733 1.613 . . . . 0.0 110.658 165.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 6.2 mt -62.18 -56.19 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 126.681 1.992 . . . . 0.0 112.4 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -30.93 68.37 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.013 -1.054 . . . . 0.0 110.75 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -60.19 -52.2 66.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.725 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mm -51.14 -45.91 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.948 1.249 . . . . 0.0 110.077 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -54.65 30.43 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 124.039 0.837 . . . . 0.0 108.89 174.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.5 71.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.64 -43.56 62.67 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.263 1.025 . . . . 0.0 109.115 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -70.79 -34.87 72.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 117.98 -1.009 . . . . 0.0 113.421 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.54 -48.43 74.72 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.484 1.115 . . . . 0.0 108.827 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -30.84 22.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.702 0.683 . . . . 0.0 111.623 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.34 10.26 5.14 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 119.384 1.592 . . . . 0.0 110.678 178.4 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 122.128 0.966 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m 44.47 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 127.424 2.289 . . . . 0.0 110.545 -127.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -50.15 -54.49 20.39 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 127.376 2.271 . . . . 0.0 110.61 -162.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.03 -43.42 67.94 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 125.769 1.628 . . . . 0.0 112.189 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.11 -21.29 61.5 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.345 0.975 . . . . 0.0 111.019 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -10.27 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.613 1.165 . . . . 0.0 113.138 -170.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -77.52 172.89 12.66 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.474 1.034 . . . . 0.0 110.671 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 p -85.77 155.4 21.04 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.676 -1.155 . . . . 0.0 108.03 170.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.47 -33.66 9.79 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 122.002 2.183 . . . . 0.0 113.613 -173.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.75 -45.48 74.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.334 1.021 . . . . 0.0 111.858 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.54 -38.11 77.37 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.423 0.689 . . . . 0.0 110.705 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -61.46 2.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.797 1.639 . . . . 0.0 107.131 -177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -55.4 -42.86 74.64 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.539 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.3 -4.61 14.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 120.423 1.465 . . . . 0.0 113.482 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -53.68 4.58 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 120.158 -1.589 . . . . 0.0 107.946 163.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.93 -25.38 22.11 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.447 -0.783 . . . . 0.0 112.637 -158.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.42 70.97 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.027 2.131 . . . . 0.0 108.813 160.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -56.21 23.87 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 119.491 1.042 . . . . 0.0 110.325 -174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -59.92 -52.28 66.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -45.39 -54.66 6.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.943 1.247 . . . . 0.0 111.794 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -60.62 -50.92 71.59 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.398 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.72 -55.31 9.81 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.474 1.11 . . . . 0.0 109.974 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.12 -49.53 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.752 1.614 . . . . 0.0 111.86 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 ttt -65.85 -31.32 72.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 125.816 1.646 . . . . 0.0 113.094 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -83.22 -36.97 24.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 109.823 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.4 mt -68.81 -46.06 69.62 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.116 1.767 . . . . 0.0 109.292 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.22 -33.26 72.01 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.483 -1.386 . . . . 0.0 110.31 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.46 -30.29 70.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.328 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.53 -41.82 62.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 121.188 1.813 . . . . 0.0 108.458 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.85 -52.93 63.33 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.259 1.024 . . . . 0.0 110.729 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.28 -14.43 55.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.883 0.873 . . . . 0.0 111.833 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.15 -10.15 26.5 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.68 1.127 . . . . 0.0 112.892 168.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.7 36.76 13.01 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 128.169 2.795 . . . . 0.0 111.637 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -119.0 -23.12 6.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.275 1.03 . . . . 0.0 110.52 -168.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.06 140.79 45.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.186 0.994 . . . . 0.0 109.186 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -48.95 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.615 1.166 . . . . 0.0 111.353 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -151.38 140.94 21.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.212 1.405 . . . . 0.0 107.342 -168.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -56.98 -15.8 5.69 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 p -55.44 -34.28 64.32 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.412 1.085 . . . . 0.0 111.726 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.01 -46.33 71.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.328 1.051 . . . . 0.0 109.386 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -44.96 83.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.824 174.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -47.08 77.45 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 121.149 1.795 . . . . 0.0 110.646 -177.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD2' HH11 ' A' ' 48' ' ' ARG . 11.1 mt -66.17 -41.77 89.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 123.564 0.746 . . . . 0.0 109.131 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.7 m -63.74 -49.47 72.89 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -54.21 -43.35 70.69 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 127.078 2.151 . . . . 0.0 112.905 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.46 HH11 ' CD2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -56.39 -37.31 69.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.797 1.18 . . . . 0.0 110.681 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.53 -26.42 17.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.752 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.95 -53.24 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 CA-C-N 120.786 1.63 . . . . 0.0 106.747 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -2.52 11.05 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 118.484 0.584 . . . . 0.0 111.864 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -63.66 1.25 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.209 1.404 . . . . 0.0 111.299 161.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -57.4 -55.34 21.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 120.352 1.433 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -31.79 68.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 120.55 -1.344 . . . . 0.0 110.671 -175.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 m -69.53 -30.45 68.28 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.803 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.89 -46.29 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 122.48 2.4 . . . . 0.0 108.814 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.89 -44.36 96.96 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.038 -0.982 . . . . 0.0 108.993 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -53.94 43.65 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.475 1.034 . . . . 0.0 110.35 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.72 -15.46 53.08 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.681 1.593 . . . . 0.0 111.508 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.1 mtm105 -99.94 -11.09 20.96 Favored 'General case' 0 CA--C 1.525 0.018 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.281 172.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.22 -44.59 83.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 120.681 1.582 . . . . 0.0 106.917 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -15.29 14.7 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.733 1.213 . . . . 0.0 113.408 -175.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.76 64.55 2.32 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.443 -0.811 0 C-N-CA 127.218 2.207 . . . . 0.0 108.433 -179.701 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.761 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.45 -60.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 128.48 2.712 . . . . 0.0 108.401 -157.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.58 -46.86 58.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.15 0.976 . . . . 0.0 110.337 -173.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.68 -11.68 60.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.86 -1.15 . . . . 0.0 113.145 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.21 24.02 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 113.671 166.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -43.15 89.78 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.377 1.071 . . . . 0.0 110.418 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -57.44 157.03 7.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 125.099 1.499 . . . . 0.0 112.528 -161.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.0 p -64.78 161.39 18.16 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.376 -0.827 . . . . 0.0 109.822 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.7 -32.87 6.22 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -88.93 -43.15 11.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.762 1.225 . . . . 0.0 110.92 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.84 -31.72 72.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.712 1.142 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.09 -69.2 0.25 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.083 1.353 . . . . 0.0 107.597 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.09 65.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 116.592 -1.67 . . . . 0.0 109.45 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.79 -4.88 17.73 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.478 1.036 . . . . 0.0 113.287 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 -43.47 5.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 120.755 -1.216 . . . . 0.0 109.328 170.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 1.2 mt -78.97 -32.31 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -168.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -58.36 -43.35 88.32 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.563 1.164 . . . . 0.0 111.4 164.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -67.11 -49.88 63.38 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.767 0.712 . . . . 0.0 109.745 -172.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -54.09 -63.27 1.2 Allowed 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.145 -1.597 . . . . 0.0 107.963 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.32 62.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.946 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.6 -46.45 63.38 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.073 1.761 . . . . 0.0 111.841 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.9 -47.12 60.84 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 126.381 1.872 . . . . 0.0 109.812 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 tp -47.86 -54.69 11.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.96 0.8 . . . . 0.0 111.276 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.78 -22.09 62.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -39.2 18.34 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.588 1.555 . . . . 0.0 108.285 -177.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.53 -50.39 71.56 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 -59.48 -28.17 66.77 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.654 -1.279 . . . . 0.0 112.487 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.92 -25.77 59.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 111.514 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -81.7 -29.54 32.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 119.622 -1.924 . . . . 0.0 106.589 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.96 -51.34 40.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.982 1.313 . . . . 0.0 111.477 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.31 -48.46 18.21 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.478 1.511 . . . . 0.0 109.29 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -26.73 63.54 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 123.79 0.836 . . . . 0.0 112.112 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.2 23.86 10.13 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 126.22 1.867 . . . . 0.0 113.571 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.46 -31.41 7.83 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.701 1.201 . . . . 0.0 109.942 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tp -86.19 114.07 22.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.67 1.588 . . . . 0.0 109.519 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -116.0 57.57 0.75 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.117 1.767 . . . . 0.0 108.957 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.97 76.86 0.65 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 120.989 -1.069 . . . . 0.0 109.719 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.9 p -75.83 -31.7 59.48 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.424 -1.422 . . . . 0.0 112.584 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -65.8 -32.27 73.71 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.261 0.937 . . . . 0.0 110.283 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.68 -42.82 85.91 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -48.76 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 119.665 1.12 . . . . 0.0 108.845 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -44.69 76.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.198 1.399 . . . . 0.0 111.276 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.12 -23.85 62.17 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 121.102 -0.999 . . . . 0.0 108.99 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.251 33.7 m -75.36 -59.01 2.94 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 116.617 -1.658 . . . . 0.0 107.271 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -49.85 -41.56 45.47 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 123.421 2.828 . . . . 0.0 113.691 174.233 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -51.23 -59.8 3.81 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.212 1.005 . . . . 0.0 111.751 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.06 -31.93 61.4 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.059 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.87 -49.9 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 120.412 1.46 . . . . 0.0 107.144 168.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 -5.13 47.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.977 0.808 . . . . 0.0 111.96 -171.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -61.67 1.66 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.256 1.822 . . . . 0.0 111.287 162.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 mp -54.76 -57.16 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 C-N-CA 126.14 1.776 . . . . 0.0 113.252 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -34.3 70.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -64.45 -41.78 96.35 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 114.56 -2.638 . . . . 0.0 111.014 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.66 -46.21 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 123.672 2.942 . . . . 0.0 110.148 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.42 -43.73 93.42 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.971 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -52.24 26.74 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 122.962 0.505 . . . . 0.0 109.86 170.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -49.86 -29.89 8.94 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.94 1.296 . . . . 0.0 114.472 -173.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -0.56 16.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.26 1.824 . . . . 0.0 114.018 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.99 -8.6 59.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 121.551 1.978 . . . . 0.0 109.811 160.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt -131.63 -156.59 0.76 Allowed 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 129.32 3.048 . . . . 0.0 105.729 -163.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.0 39.33 1.92 Allowed Glycine 0 CA--C 1.519 0.338 0 CA-C-O 119.035 -0.869 . . . . 0.0 111.603 167.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 N--CA 1.436 -1.13 0 C-N-CA 124.787 1.235 . . . . 0.0 109.04 177.169 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 114.975 -2.44 . . . . 0.0 113.255 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -44.16 -42.9 6.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 122.239 2.29 . . . . 0.0 110.37 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.93 -53.67 9.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.958 1.703 . . . . 0.0 114.454 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 2.7 mp -90.71 -23.81 20.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 128.005 2.522 . . . . 0.0 113.628 -171.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -10.82 47.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.469 -0.776 . . . . 0.0 110.936 172.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -22.5 61.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.806 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -63.58 161.03 15.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 123.758 0.823 . . . . 0.0 109.604 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -72.22 161.2 31.19 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.667 -1.27 . . . . 0.0 109.477 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -19.93 65.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 121.796 2.089 . . . . 0.0 113.783 -170.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.95 -44.74 25.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.765 0.826 . . . . 0.0 112.3 164.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.37 -33.77 76.27 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 119.688 1.131 . . . . 0.0 110.63 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.82 -66.26 0.56 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.505 2.722 . . . . 0.0 106.029 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -53.96 -48.71 70.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 119.226 0.921 . . . . 0.0 109.358 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.35 -2.0 23.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.419 1.009 . . . . 0.0 112.188 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.89 -54.05 3.32 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.822 1.649 . . . . 0.0 107.479 172.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -40.85 71.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.13 -171.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -64.43 -35.33 80.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.874 1.27 . . . . 0.0 110.639 174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.69 -50.02 54.27 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 10.5 mmmt -59.49 -52.93 63.47 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.964 0.906 . . . . 0.0 108.6 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -46.6 -48.23 19.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 115.509 -2.186 . . . . 0.0 112.521 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -67.53 -50.35 59.07 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 121.939 2.154 . . . . 0.0 109.957 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -52.82 10.93 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 125.441 1.496 . . . . 0.0 110.13 -172.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.96 -47.21 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.128 1.331 . . . . 0.0 112.2 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.1 mtt -66.56 -26.85 67.32 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.14 -37.44 14.2 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.264 1.031 . . . . 0.0 109.676 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.82 -51.08 71.26 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 125.47 1.508 . . . . 0.0 109.158 171.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.7 ptt85 -60.31 -28.3 68.0 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.937 -1.102 . . . . 0.0 111.519 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -71.32 -26.89 63.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 111.033 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -73.9 -33.8 64.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.739 1.608 . . . . 0.0 108.651 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.42 -51.59 59.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.073 0.851 . . . . 0.0 110.292 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.33 21.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.306 1.842 . . . . 0.0 110.424 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mmt -81.33 -17.99 47.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.22 30.67 11.95 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 126.288 1.899 . . . . 0.0 112.985 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -121.24 -22.17 6.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.566 0.746 . . . . 0.0 110.101 -167.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.68 120.59 11.49 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 124.635 1.174 . . . . 0.0 110.782 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -71.92 75.94 0.9 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.665 1.586 . . . . 0.0 109.977 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.52 124.09 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.227 3.011 . . . . 0.0 115.182 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.1 p -49.08 -16.97 0.17 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.181 2.592 . . . . 0.0 117.134 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 m -51.65 -38.45 54.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 120.839 1.654 . . . . 0.0 110.731 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.8 -50.43 73.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.015 0.926 . . . . 0.0 109.796 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -49.6 79.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-O 117.256 -1.354 . . . . 0.0 109.888 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -45.67 62.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.968 1.713 . . . . 0.0 110.881 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.73 -13.94 58.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 O-C-N 121.403 -0.811 . . . . 0.0 110.35 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.2 m -87.44 -55.49 3.77 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.758 1.623 . . . . 0.0 106.935 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -45.39 -45.78 12.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 128.366 2.666 . . . . 0.0 112.43 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -50.1 -54.14 22.52 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.09 0.859 . . . . 0.0 111.344 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.16 -27.03 56.82 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 126.019 1.728 . . . . 0.0 109.465 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.59 -55.7 17.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 121.905 2.139 . . . . 0.0 106.796 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 0.76 5.63 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.29 -0.881 . . . . 0.0 112.113 -173.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.5 ' HD2' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -99.33 -60.11 1.59 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.603 3.161 . . . . 0.0 110.083 171.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CD1' ' HE2' ' A' ' 21' ' ' LYS . 68.7 mt -64.95 -52.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 127.801 2.44 . . . . 0.0 110.778 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -33.47 69.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.788 -1.195 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.5 m -66.68 -36.43 82.51 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.58 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -51.93 -44.76 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.804 2.093 . . . . 0.0 110.76 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.29 -51.45 69.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.727 0.811 . . . . 0.0 109.906 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -50.31 45.72 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 0.0 110.717 175.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.64 -29.12 70.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.081 1.353 . . . . 0.0 110.071 -173.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -83.47 -20.93 33.11 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 121.315 -0.866 . . . . 0.0 112.884 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.27 -58.68 5.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -13.06 56.94 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.974 0.806 . . . . 0.0 111.61 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.97 51.27 7.08 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 109.062 152.397 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.3 m 57.68 -60.34 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 127.563 2.345 . . . . 0.0 110.669 -147.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.3 -52.83 63.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.158 2.183 . . . . 0.0 109.604 -174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.64 -15.12 60.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 119.794 -1.816 . . . . 0.0 113.835 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -7.68 47.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 119.536 1.062 . . . . 0.0 112.283 170.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.24 -10.99 59.97 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.376 1.87 . . . . 0.0 112.906 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -81.15 165.65 21.36 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 p -70.83 152.99 43.15 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -43.58 -29.77 0.52 Allowed 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 128.169 2.588 . . . . 0.0 113.343 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.93 -51.89 9.02 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.866 0.729 . . . . 0.0 111.112 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.0 -35.87 73.96 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 123.083 0.553 . . . . 0.0 111.392 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -69.23 0.13 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -43.64 72.54 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.463 -2.208 . . . . 0.0 109.837 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -64.62 -15.33 61.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 120.304 1.411 . . . . 0.0 112.745 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 -43.87 7.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -30.06 37.83 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.169 -0.957 . . . . 0.0 108.456 -172.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.81 -33.54 68.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.845 -0.597 . . . . 0.0 112.261 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.82 -55.78 13.34 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.277 0.56 . . . . 0.0 110.113 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.66 -53.62 55.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 119.745 -1.847 . . . . 0.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -52.81 -39.11 62.12 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 120.699 1.591 . . . . 0.0 111.943 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -76.03 -40.34 53.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.768 1.622 . . . . 0.0 112.998 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -51.42 -53.07 40.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.563 1.545 . . . . 0.0 107.58 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.5 tp -53.99 -50.57 66.28 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.034 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.9 ttm -55.16 -28.71 54.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -42.13 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.485 1.114 . . . . 0.0 109.762 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.58 -33.62 74.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 O-C-N 120.817 -1.177 . . . . 0.0 107.875 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 ptm85 -64.94 -28.19 69.36 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 120.787 -1.196 . . . . 0.0 111.399 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.53 -32.71 66.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.619 1.168 . . . . 0.0 110.928 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -71.8 -43.66 65.29 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 121.767 2.076 . . . . 0.0 106.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -55.5 -53.35 57.48 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.086 0.954 . . . . 0.0 110.697 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.271 1.029 . . . . 0.0 110.157 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.38 60.37 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.322 1.049 . . . . 0.0 112.53 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.72 6.85 24.55 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 129.699 3.523 . . . . 0.0 114.457 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -103.84 -28.15 11.79 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.014 1.407 . . . . 0.0 110.701 -151.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 119.27 9.2 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.517 1.527 . . . . 0.0 109.422 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 161.21 8.34 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.23 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -24.01 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 1 C-N-CA 132.744 4.418 . . . . 0.0 117.731 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . 0.347 1.5 p 23.61 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.761 3.224 . . . . 0.0 116.542 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.5 m -94.0 -34.82 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.483 -0.761 . . . . 0.0 109.892 163.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.77 -46.38 65.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.779 0.718 . . . . 0.0 110.094 -167.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -46.49 92.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -42.79 92.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.64 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.27 -48.26 80.69 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.751 2.82 . . . . 0.0 108.707 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -57.6 -48.48 79.29 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -52.96 -43.22 66.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.412 1.915 . . . . 0.0 112.098 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -58.94 -40.41 84.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.43 -36.02 24.56 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.888 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -58.11 -57.55 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 120.182 1.356 . . . . 0.0 109.007 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.34 0.09 8.91 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 120.517 -1.364 . . . . 0.0 112.041 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -57.05 2.83 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.717 1.607 . . . . 0.0 110.259 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -66.57 -44.79 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 119.829 -1.794 . . . . 0.0 112.01 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -31.23 70.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 121.402 1.91 . . . . 0.0 109.866 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -60.79 -37.27 81.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.426 -1.273 . . . . 0.0 109.698 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.6 mm -57.75 -41.46 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 120.638 1.563 . . . . 0.0 109.968 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -53.09 61.66 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -53.55 53.17 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 119.019 0.827 . . . . 0.0 112.178 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.61 -42.65 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.919 1.288 . . . . 0.0 109.313 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -66.26 -35.14 79.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.72 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.02 -43.56 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.494 1.118 . . . . 0.0 110.156 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -19.83 24.17 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.124 0.875 . . . . 0.0 113.177 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 4.49 26.8 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.792 1.186 . . . . 0.0 115.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 126.93 2.092 . . . . 0.0 112.944 -177.257 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.45 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.9 m 57.96 -13.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 128.609 2.764 . . . . 0.0 116.341 -173.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.21 -46.92 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.768 1.627 . . . . 0.0 107.731 166.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.28 -6.34 57.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -12.07 27.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.138 0.975 . . . . 0.0 112.592 161.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -95.47 -24.23 16.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.173 1.389 . . . . 0.0 113.142 -155.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -57.67 167.15 1.15 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 118.716 0.689 . . . . 0.0 110.853 165.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.82 163.33 28.29 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.617 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.23 -36.44 61.04 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.749 1.159 . . . . 0.0 112.109 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -62.04 -63.14 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.819 1.248 . . . . 0.0 110.984 168.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.06 -14.72 61.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 112.733 -172.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.24 -73.46 0.16 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 166.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.35 66.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 120.115 1.325 . . . . 0.0 111.029 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.13 -10.38 49.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 119.388 0.995 . . . . 0.0 113.38 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -45.96 4.77 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.01 -32.39 71.89 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.5 -35.49 77.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.271 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.96 -48.8 77.33 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.438 0.695 . . . . 0.0 109.379 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -59.36 -57.59 12.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.27 -42.82 31.8 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.399 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -69.24 -50.62 45.47 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.327 1.421 . . . . 0.0 109.864 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.35 -51.58 10.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.286 1.834 . . . . 0.0 110.21 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 tp -53.49 -53.43 51.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.335 0.516 . . . . 0.0 111.509 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.9 mtm -66.26 -22.11 66.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.668 0.787 . . . . 0.0 112.243 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.52 -44.09 9.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.763 2.025 . . . . 0.0 112.866 -174.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.64 -59.34 4.58 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 126.623 1.969 . . . . 0.0 108.534 166.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -59.42 -25.44 64.33 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.081 -1.012 . . . . 0.0 111.93 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -71.18 -30.99 67.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.926 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -78.44 -32.64 48.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 120.294 1.406 . . . . 0.0 108.837 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.65 -56.82 17.27 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.61 -27.9 68.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.249 1.42 . . . . 0.0 112.334 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.27 -9.9 58.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.664 0.786 . . . . 0.0 112.708 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.14 10.12 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 127.345 2.402 . . . . 0.0 109.992 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -130.11 -21.04 3.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.646 1.578 . . . . 0.0 110.537 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.51 131.83 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.735 1.614 . . . . 0.0 108.149 167.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -140.55 54.59 1.6 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.296 1.438 . . . . 0.0 111.529 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -136.5 -72.44 0.45 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.631 0.772 . . . . 0.0 109.265 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m 70.94 -20.16 0.22 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.695 2.798 . . . . 0.0 114.343 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -35.17 79.8 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.232 -1.543 . . . . 0.0 109.859 167.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.68 83.37 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.706 170.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.87 -45.0 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.605 2.002 . . . . 0.0 110.519 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -44.64 61.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 121.469 1.94 . . . . 0.0 111.193 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -80.8 -31.2 35.76 Favored 'General case' 0 N--CA 1.422 -1.871 0 C-N-CA 127.813 2.445 . . . . 0.0 109.822 -172.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.3 m -65.78 -53.08 45.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 167.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -52.54 -45.15 66.22 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 126.915 2.086 . . . . 0.0 112.679 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.05 -42.5 94.63 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.989 1.268 . . . . 0.0 110.21 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -70.98 -39.83 72.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.51 -55.21 25.92 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -8.69 25.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 119.679 1.127 . . . . 0.0 112.399 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -60.72 1.9 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.374 1.869 . . . . 0.0 109.948 167.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -61.73 -54.31 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 127.53 2.332 . . . . 0.0 111.917 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -33.84 72.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 120.262 -1.524 . . . . 0.0 110.642 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -59.12 -51.36 70.36 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 116.237 -1.84 . . . . 0.0 108.175 173.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mm -46.21 -50.23 4.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-N 119.928 1.24 . . . . 0.0 110.253 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.67 -60.52 2.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 122.426 1.108 . . . . 0.0 110.545 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -50.45 61.12 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.635 1.574 . . . . 0.0 112.364 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.86 61.19 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 128.241 2.616 . . . . 0.0 108.163 -172.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -99.9 -21.45 15.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.584 1.154 . . . . 0.0 111.598 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.29 -56.73 17.19 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 166.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -14.58 60.96 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.419 1.009 . . . . 0.0 111.5 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.4 27.73 56.96 Favored Glycine 0 N--CA 1.447 -0.598 0 O-C-N 121.763 -0.586 . . . . 0.0 113.674 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm . . . . . 0 N--CA 1.449 -0.503 0 CA-C-N 118.844 1.322 . . . . 0.0 109.175 172.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 60.89 -52.66 0.1 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 130.196 3.399 . . . . 0.0 110.831 -162.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.64 -52.35 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 124.076 0.95 . . . . 0.0 109.388 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.8 -10.31 59.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.082 -1.636 . . . . 0.0 113.768 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -4.48 24.48 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.873 0.869 . . . . 0.0 113.152 171.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -23.45 37.16 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.598 1.159 . . . . 0.0 113.031 -176.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -64.2 167.58 6.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.663 1.185 . . . . 0.0 111.537 -171.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -77.22 164.14 25.88 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.723 173.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -41.48 67.91 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.883 1.674 . . . . 0.0 111.758 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -43.39 82.7 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 122.841 0.457 . . . . 0.0 111.966 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -67.54 -38.62 84.45 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 119.126 0.876 . . . . 0.0 110.327 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.8 mt -67.21 -14.18 62.67 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 117.137 -1.411 . . . . 0.0 114.039 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.27 -45.67 5.27 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.335 1.854 . . . . 0.0 109.279 164.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.13 -14.35 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.806 1.639 . . . . 0.0 112.301 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.27 -57.34 3.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 123.479 1.609 . . . . 0.0 108.598 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -74.34 -34.35 63.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 112.804 -1.998 . . . . 0.0 111.158 -165.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.56 -30.35 71.08 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.699 1.2 . . . . 0.0 109.488 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -75.97 -52.29 10.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -56.34 -56.35 22.15 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.857 -1.152 . . . . 0.0 108.136 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -47.29 -44.57 23.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 116.462 -1.732 . . . . 0.0 113.332 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -67.46 -54.96 15.69 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 120.987 1.721 . . . . 0.0 109.806 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -45.08 -51.99 9.58 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 126.479 1.912 . . . . 0.0 110.341 -173.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.64 -48.06 66.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.697 1.135 . . . . 0.0 111.925 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ttt -66.5 -28.55 68.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.627 1.171 . . . . 0.0 112.241 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.52 -31.87 17.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.559 1.072 . . . . 0.0 110.451 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.26 -44.01 63.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.682 1.193 . . . . 0.0 108.794 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -56.72 -28.42 60.98 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.302 -1.499 . . . . 0.0 111.695 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -25.06 50.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.05 1.74 . . . . 0.0 110.049 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -77.61 -38.83 47.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.17 -49.52 73.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.929 0.892 . . . . 0.0 110.395 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.29 -14.24 6.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.198 1.799 . . . . 0.0 112.651 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.61 -8.63 18.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.623 1.169 . . . . 0.0 112.966 172.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 48.44 19.64 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 128.75 3.071 . . . . 0.0 110.206 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -121.55 -37.69 2.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.444 1.098 . . . . 0.0 109.836 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.97 -41.84 99.66 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.709 0.804 . . . . 0.0 111.434 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 tttp 55.09 86.32 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.514 1.526 . . . . 0.0 111.76 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 96.56 159.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 131.014 3.726 . . . . 0.0 111.75 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.4 p -121.09 3.36 10.44 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -57.04 -38.56 73.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 120.112 1.324 . . . . 0.0 110.04 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.09 73.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.643 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -41.79 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 120.959 1.709 . . . . 0.0 110.287 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -58.47 -45.21 89.1 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.755 1.161 . . . . 0.0 110.275 175.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.09 -28.55 66.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 120.416 -1.427 . . . . 0.0 110.415 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 m -70.92 -55.72 7.78 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -46.91 -48.3 21.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 127.783 2.433 . . . . 0.0 112.389 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 11.2 ptt85 -60.42 -45.64 92.87 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.618 1.099 . . . . 0.0 109.876 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -39.29 74.82 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.23 -53.37 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.19 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.706 0.685 . . . . 0.0 112.36 -172.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -62.26 1.5 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 109.369 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 mp -50.99 -59.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.9 1.68 . . . . 0.0 113.369 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -21.61 60.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 120.293 -1.505 . . . . 0.0 112.295 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -83.09 -29.8 28.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.429 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -50.15 -45.41 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 122.526 2.421 . . . . 0.0 110.765 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.76 -46.63 74.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -47.71 63.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.684 1.129 . . . . 0.0 111.7 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.0 -32.52 64.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.795 1.238 . . . . 0.0 111.29 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.55 -34.39 60.73 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.394 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -55.49 -46.97 76.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.206 1.002 . . . . 0.0 109.181 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.3 0.22 50.53 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.68 30.43 64.02 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.198 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 N--CA 1.448 -0.545 0 C-N-CA 125.509 1.524 . . . . 0.0 110.943 171.806 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 m 62.55 -57.14 0.14 Allowed 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 129.207 3.003 . . . . 0.0 109.661 -154.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' H ' ' A' ' 6' ' ' LEU . 5.3 pt-20 -56.07 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 128.254 2.621 . . . . 0.0 110.497 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' H ' ' CG ' ' A' ' 5' ' ' GLU . 12.5 mt -78.92 -16.65 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 126.148 1.779 . . . . 0.0 112.217 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.32 54.59 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.922 0.489 . . . . 0.0 110.413 169.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.02 -4.3 40.5 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.733 -167.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . 0.345 63.0 m-85 -77.21 161.13 28.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 120.555 1.525 . . . . 0.0 108.453 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.4 p -80.03 150.41 30.38 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -36.27 -45.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 129.04 2.936 . . . . 0.0 110.261 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.12 -37.13 75.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.04 -44.18 69.73 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.498 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.74 -60.36 2.96 Favored 'General case' 0 C--N 1.342 0.249 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -58.34 6.52 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.69 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.56 -15.22 57.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -170.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -96.49 -51.7 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.33 -29.23 57.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.712 0.805 . . . . 0.0 109.063 -169.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.06 -29.33 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.404 1.082 . . . . 0.0 111.748 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -70.13 -51.7 29.44 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.151 0.98 . . . . 0.0 109.535 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -53.89 -61.48 2.28 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 173.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -47.46 -44.98 25.5 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.475 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -64.17 -55.4 22.07 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 120.258 1.39 . . . . 0.0 110.569 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.86 -49.64 19.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.72 1.208 . . . . 0.0 110.573 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.09 -52.67 41.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.179 1.354 . . . . 0.0 111.582 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.7 tpt -65.0 -25.25 67.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.481 1.112 . . . . 0.0 112.236 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.29 -40.0 12.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.215 1.007 . . . . 0.0 109.761 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.88 -41.46 97.73 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.149 -1.594 . . . . 0.0 109.277 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -61.61 -31.58 71.66 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.705 -1.247 . . . . 0.0 110.237 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.0 -32.66 73.21 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.358 -1.306 . . . . 0.0 111.088 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -74.03 -39.72 63.37 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 121.742 2.065 . . . . 0.0 107.52 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.11 -51.1 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.559 0.744 . . . . 0.0 110.277 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.36 -23.14 66.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.265 1.026 . . . . 0.0 111.839 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -81.52 -18.37 45.27 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 120.039 1.29 . . . . 0.0 112.386 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.33 42.83 4.8 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.181 1.848 . . . . 0.0 111.121 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -129.61 -29.73 2.14 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.144 1.472 . . . . 0.0 112.113 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 119.21 5.87 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.1 1.36 . . . . 0.0 110.609 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -55.23 -59.62 4.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.891 0.768 . . . . 0.0 112.019 -176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.4 122.53 11.46 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.719 0.69 . . . . 0.0 111.428 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.7 p -64.5 -12.99 49.91 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.05 -22.5 65.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.861 1.664 . . . . 0.0 111.597 171.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.7 -57.25 12.69 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 116.643 -1.646 . . . . 0.0 108.437 160.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -43.27 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 121.826 2.103 . . . . 0.0 110.763 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.479 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.24 -50.56 70.95 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.494 1.043 . . . . 0.0 110.008 176.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.74 -38.11 89.87 Favored 'General case' 0 N--CA 1.415 -2.202 0 C-N-CA 126.419 1.888 . . . . 0.0 108.286 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -65.16 -52.33 55.7 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -51.06 -44.16 61.1 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.881 2.073 . . . . 0.0 113.034 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HD2' ' HE2' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -58.46 -49.45 77.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.784 1.174 . . . . 0.0 108.02 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.54 -42.86 82.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.32 -53.16 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.116 0 CA-C-N 120.101 1.319 . . . . 0.0 108.187 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -13.97 62.64 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.772 -174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -61.5 1.79 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.08 1.752 . . . . 0.0 109.104 172.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 mp -55.27 -56.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 127.043 2.137 . . . . 0.0 111.746 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.43 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 120.348 -1.47 . . . . 0.0 110.832 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -40.32 82.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 116.389 -1.767 . . . . 0.0 110.591 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.25 -49.1 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 122.09 2.223 . . . . 0.0 109.586 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.08 -54.26 45.38 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -47.45 30.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.675 1.19 . . . . 0.0 111.388 176.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.25 -13.35 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.915 1.286 . . . . 0.0 112.666 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -96.1 -19.97 19.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.691 1.196 . . . . 0.0 112.145 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.05 -67.06 0.46 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.64 169.28 17.85 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.1 23.63 1.39 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.865 -0.964 . . . . 0.0 114.104 -173.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 119.918 1.859 . . . . 0.0 110.566 -177.022 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 117.428 -1.272 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.31 0.63 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.577 1.535 . . . . 0.0 112.805 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.5 -44.99 16.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.651 2.38 . . . . 0.0 113.976 171.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.96 -37.22 29.77 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 126.229 1.811 . . . . 0.0 111.234 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -11.77 53.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.619 1.099 . . . . 0.0 110.847 174.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.04 0.64 56.51 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.668 1.587 . . . . 0.0 113.269 -162.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . 0.432 29.3 m-85 -76.62 179.5 5.95 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 119.852 1.206 . . . . 0.0 110.849 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -86.59 147.0 26.12 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.769 2.077 . . . . 0.0 107.36 165.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -47.84 -31.39 4.96 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 122.891 2.587 . . . . 0.0 111.823 -177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -68.53 -47.86 65.82 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 113.58 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.82 -43.1 99.52 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.242 0.928 . . . . 0.0 110.486 170.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.37 -57.24 12.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -173.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.33 83.09 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.303 -1.332 . . . . 0.0 110.291 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -15.05 62.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 121.261 1.846 . . . . 0.0 112.626 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.33 -57.32 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 128.492 2.717 . . . . 0.0 106.723 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -38.01 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -37.59 86.63 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.233 172.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -67.04 -50.27 62.53 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.646 1.179 . . . . 0.0 109.491 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -63.9 -54.08 40.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.698 -1.594 . . . . 0.0 106.698 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -45.95 -51.83 12.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.358 -1.306 . . . . 0.0 112.39 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.29 -52.16 59.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.316 1.416 . . . . 0.0 109.939 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -47.74 -50.4 25.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.267 1.027 . . . . 0.0 109.73 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.78 -50.51 55.86 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.174 1.352 . . . . 0.0 111.989 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mmt -62.27 -27.86 69.31 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -94.21 -25.67 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.511 1.148 . . . . 0.0 111.096 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.0 -45.1 67.99 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.437 1.495 . . . . 0.0 109.151 168.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -61.56 -26.29 67.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.354 -1.466 . . . . 0.0 111.39 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.55 -46.17 89.58 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.988 0.915 . . . . 0.0 110.409 169.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.22 -40.53 90.35 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.529 1.513 . . . . 0.0 108.038 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.3 -54.04 51.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.091 0.956 . . . . 0.0 110.329 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.7 69.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.815 0.846 . . . . 0.0 112.285 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 mtt -67.7 -41.45 83.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.62 0.646 . . . . 0.0 110.857 167.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 43.88 0.57 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 125.813 1.673 . . . . 0.0 112.438 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -124.07 -26.04 4.09 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.769 1.284 . . . . 0.0 111.313 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.83 94.39 2.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.094 -1.004 . . . . 0.0 111.634 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -38.8 105.81 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.068 1.747 . . . . 0.0 111.732 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 t30 40.76 33.69 0.22 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.723 2.809 . . . . 0.0 114.814 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p 47.56 21.18 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -170.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -57.15 -41.92 80.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 120.738 -1.226 . . . . 0.0 111.581 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -47.83 29.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.881 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.37 -45.0 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.28 46.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.754 1.161 . . . . 0.0 111.201 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -13.04 61.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.559 1.144 . . . . 0.0 111.395 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.1 m -93.49 -52.91 4.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -49.63 -41.41 42.34 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.198 1.799 . . . . 0.0 112.32 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -51.75 -57.3 9.66 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.703 0.627 . . . . 0.0 110.77 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.22 -29.06 66.92 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.199 1.8 . . . . 0.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.0 -53.54 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.972 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.96 -9.87 48.86 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.762 1.164 . . . . 0.0 112.439 -173.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.28 0.4 OUTLIER -85.56 -63.13 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 130.902 3.681 . . . . 0.0 109.39 173.378 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.98 -51.15 57.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 127.898 2.479 . . . . 0.0 109.954 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.08 69.42 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 120.136 -1.603 . . . . 0.0 109.669 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.5 m -67.89 -33.28 74.42 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 116.76 -1.59 . . . . 0.0 111.276 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.0 -37.0 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 122.065 2.211 . . . . 0.0 111.254 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.12 -59.36 4.87 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 168.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -48.19 70.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.772 0.829 . . . . 0.0 112.289 -176.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.09 -14.65 4.09 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.45 2.3 . . . . 0.0 111.486 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -104.6 -16.81 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 120.097 -1.627 . . . . 0.0 112.905 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -62.74 -46.85 86.14 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.904 0.774 . . . . 0.0 109.012 170.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -21.19 27.69 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.862 -1.149 . . . . 0.0 112.612 175.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.05 58.91 3.83 Favored Glycine 0 CA--C 1.521 0.447 0 O-C-N 120.648 -1.282 . . . . 0.0 111.732 -168.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 126.586 1.954 . . . . 0.0 110.021 157.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.74 -21.59 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.999 3.72 . . . . 0.0 116.184 -159.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.85 -58.99 2.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 120.099 1.318 . . . . 0.0 108.15 162.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -2.86 49.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -164.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -8.66 25.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 118.946 -2.346 . . . . 0.0 111.296 169.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.49 -32.71 42.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.647 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.407 ' HB2' ' CD1' ' A' ' 14' ' ' LEU 0.341 83.4 m-85 -82.3 176.96 9.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.246 -169.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.0 p -80.56 146.22 31.38 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.38 -32.21 0.07 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 128.422 2.689 . . . . 0.0 111.982 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.98 -50.51 19.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.609 3.164 . . . . 0.0 115.393 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.953 -1.092 . . . . 0.0 110.782 168.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.53 -60.62 3.1 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -42.93 62.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 120.326 1.421 . . . . 0.0 109.837 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -71.72 -2.09 16.2 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.59 -40.38 5.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.282 2.233 . . . . 0.0 110.073 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -82.62 -32.19 28.47 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.624 -1.297 . . . . 0.0 109.117 -167.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.92 80.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.03 1.332 . . . . 0.0 109.801 164.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.99 -51.04 66.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.899 1.28 . . . . 0.0 109.646 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -58.19 -56.3 23.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 119.749 -1.844 . . . . 0.0 108.161 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -55.61 -34.77 65.18 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.839 -1.163 . . . . 0.0 112.126 -174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -73.32 -51.36 17.78 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 120.962 1.71 . . . . 0.0 110.98 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.96 -44.24 40.56 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.021 1.728 . . . . 0.0 111.118 -174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD13 ' HE3' ' A' ' 47' ' ' LYS . 19.9 tp -51.63 -54.31 29.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.469 1.031 . . . . 0.0 110.955 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.4 mtt -65.64 -23.97 66.93 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.41 -40.54 13.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.137 1.375 . . . . 0.0 108.853 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.63 -51.62 61.69 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -56.65 -33.86 66.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.929 -1.107 . . . . 0.0 111.641 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.47 -28.99 69.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.071 1.348 . . . . 0.0 110.752 175.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -78.24 -30.13 48.52 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.26 -1.525 . . . . 0.0 109.127 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.39 -52.88 50.51 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 119.954 1.252 . . . . 0.0 110.211 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.35 -43.38 16.02 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.703 1.601 . . . . 0.0 109.566 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -16.26 54.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.63 30.58 9.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 127.177 2.322 . . . . 0.0 112.731 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -121.35 -20.85 6.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.884 0.874 . . . . 0.0 110.071 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.84 124.13 19.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.875 1.67 . . . . 0.0 110.695 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -101.39 84.99 2.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.286 1.035 . . . . 0.0 111.184 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 91.09 112.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 128.981 2.913 . . . . 0.0 111.151 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.8 p -71.59 -7.86 50.37 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.2 m -60.2 -24.17 64.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.631 1.105 . . . . 0.0 111.907 174.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.96 -49.08 16.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -43.32 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 120.68 1.582 . . . . 0.0 110.789 -173.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -33.01 74.79 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.37 1.068 . . . . 0.0 112.491 -173.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . 0.255 1.9 tp -71.61 -42.38 67.75 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 128.945 2.898 . . . . 0.0 107.135 169.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -54.78 -54.97 35.13 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 119.834 1.197 . . . . 0.0 109.248 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' HE3' HD13 ' A' ' 25' ' ' LEU 0.349 0.0 OUTLIER -52.05 -42.11 62.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 119.436 -2.04 . . . . 0.0 115.74 175.716 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -48.95 78.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.482 1.492 . . . . 0.0 108.78 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.97 -41.79 61.43 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 117.26 -1.353 . . . . 0.0 107.869 -173.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -46.46 -50.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-N 120.521 1.51 . . . . 0.0 108.739 168.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.73 85.13 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -59.68 4.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.365 0.984 . . . . 0.0 112.159 173.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.4 mp -48.6 -64.11 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.504 0 C-N-CA 127.349 2.26 . . . . 0.0 111.919 172.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -29.64 70.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.761 -1.212 . . . . 0.0 109.532 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -64.28 -39.83 94.72 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 116.267 -1.825 . . . . 0.0 110.498 170.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mm -51.83 -48.43 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 122.887 2.585 . . . . 0.0 109.847 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -55.94 -57.42 12.18 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -57.48 4.09 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.547 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -39.24 43.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.748 1.619 . . . . 0.0 109.651 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -80.15 -11.99 59.7 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.0 1.32 . . . . 0.0 114.534 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.14 -48.92 71.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.11 -36.32 14.06 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.574 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.57 25.27 3.19 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 119.129 0.877 . . . . 0.0 115.038 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mm . . . . . 0 N--CA 1.446 -0.626 0 C-N-CA 124.824 1.25 . . . . 0.0 111.226 171.374 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.819 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t 58.8 -70.19 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.758 2.423 . . . . 0.0 107.812 -148.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.75 -48.41 79.31 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 126.688 1.995 . . . . 0.0 109.741 -164.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.22 -14.35 55.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 119.936 -1.728 . . . . 0.0 113.127 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -9.2 58.7 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.543 1.137 . . . . 0.0 109.985 167.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -87.99 -19.04 27.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 118.455 -0.783 . . . . 0.0 113.045 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 98.5 m-85 -68.76 163.75 23.35 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 124.164 0.986 . . . . 0.0 109.797 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 44.3 p -82.02 167.59 18.69 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 110.845 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -50.42 -41.29 52.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.634 1.106 . . . . 0.0 111.506 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.66 -46.17 55.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.03 1.332 . . . . 0.0 113.091 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 10' ' ' THR . 2.1 mm-40 -66.5 -38.37 87.1 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.049 -1.032 . . . . 0.0 110.484 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 9' ' ' TYR . 19.5 mt -56.31 -66.2 0.47 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.066 2.147 . . . . 0.0 107.122 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -49.93 -51.17 43.1 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.997 1.272 . . . . 0.0 109.677 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -68.19 -11.12 58.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -46.89 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.105 1.762 . . . . 0.0 108.498 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -78.76 -35.69 44.16 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.865 0.866 . . . . 0.0 110.127 -170.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -37.21 73.95 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.85 1.26 . . . . 0.0 109.059 169.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.31 -51.82 58.11 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 123.916 0.886 . . . . 0.0 109.174 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -54.96 -58.98 5.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.25 -1.531 . . . . 0.0 107.91 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -50.37 13.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 116.456 -1.735 . . . . 0.0 112.375 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.92 -57.68 9.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 117.101 -1.428 . . . . 0.0 109.09 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -46.28 -43.95 16.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 126.171 1.788 . . . . 0.0 111.717 -170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -54.08 -54.57 37.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.993 1.27 . . . . 0.0 110.884 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.7 mtp -62.58 -17.4 60.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.276 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -18.8 13.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.518 1.127 . . . . 0.0 111.195 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.34 -51.78 12.37 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.916 1.686 . . . . 0.0 107.076 167.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -57.52 -30.56 65.25 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.876 -0.515 . . . . 0.0 110.672 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.43 -39.1 93.58 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.469 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.72 -25.34 49.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 119.985 1.266 . . . . 0.0 107.651 -176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.58 -53.57 22.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.209 0.913 . . . . 0.0 109.411 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -36.33 38.72 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -23.87 52.14 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.696 0.798 . . . . 0.0 112.455 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.16 48.7 3.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 127.211 2.339 . . . . 0.0 110.388 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.51 -54.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.274 1.029 . . . . 0.0 108.771 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.73 116.26 3.94 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 170.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -122.12 39.55 3.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.318 1.047 . . . . 0.0 109.536 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -143.45 101.05 3.72 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 120.815 -1.178 . . . . 0.0 110.302 153.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -62.31 -25.14 67.71 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.479 -0.763 . . . . 0.0 112.653 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -78.36 -18.48 55.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.349 -0.844 . . . . 0.0 112.65 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.11 -51.38 61.65 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 162.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -46.41 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.46 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -47.96 70.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 120.238 1.381 . . . . 0.0 111.954 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.04 -29.23 62.83 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -67.12 -52.04 46.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -52.34 -45.3 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 119.889 -1.757 . . . . 0.0 113.875 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -57.37 -47.77 80.77 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.686 1.195 . . . . 0.0 107.969 -174.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -48.18 85.45 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 O-C-N 120.521 -1.362 . . . . 0.0 107.748 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.86 95.08 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-O 117.25 -1.357 . . . . 0.0 109.234 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -61.68 2.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 120.132 1.333 . . . . 0.0 113.441 175.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.9 mt -53.77 -59.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 127.601 2.36 . . . . 0.0 111.801 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.13 71.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.368 -1.458 . . . . 0.0 109.784 -175.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -62.34 -39.37 92.86 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.435 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -52.36 -49.26 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 121.844 2.111 . . . . 0.0 109.728 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tp -55.04 -55.87 26.09 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -50.96 29.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.49 1.116 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.96 -18.26 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 126.451 1.9 . . . . 0.0 111.602 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -85.11 -32.04 23.01 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.582 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.352 1.461 . . . . 0.0 108.923 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -10.62 59.12 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.251 0.932 . . . . 0.0 112.25 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.14 62.82 5.07 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 124.205 0.907 . . . . 0.0 111.936 -169.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mm . . . . . 0 N--CA 1.448 -0.573 0 C-N-CA 124.8 1.24 . . . . 0.0 110.945 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -41.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.926 2.49 . . . . 0.0 112.491 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 4.4 pt-20 -79.44 -55.94 4.68 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 123.123 1.44 . . . . 0.0 108.098 171.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.49 ' H ' ' HG3' ' A' ' 5' ' ' GLU . 15.1 mt -80.3 -14.12 58.64 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 120.619 -1.301 . . . . 0.0 114.126 -165.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.37 0.16 53.23 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.939 0.896 . . . . 0.0 110.919 165.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -74.68 -32.38 62.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.394 0.997 . . . . 0.0 111.9 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -54.43 151.46 7.67 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 124.106 0.879 . . . . 0.0 110.146 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -69.3 164.3 23.13 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.561 0.619 . . . . 0.0 110.567 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -53.0 -34.36 55.95 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.964 1.256 . . . . 0.0 111.734 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.55 -40.03 36.05 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -64.4 -49.45 71.51 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.639 1.109 . . . . 0.0 109.822 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -48.59 -66.84 0.33 Allowed 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 128.147 2.579 . . . . 0.0 107.304 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -50.09 50.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -65.23 -16.96 64.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 112.952 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.64 -36.66 10.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.153 1.781 . . . . 0.0 109.666 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -35.24 18.7 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.955 -1.091 . . . . 0.0 108.244 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -34.15 68.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.743 -1.122 . . . . 0.0 109.867 168.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -63.27 -53.96 44.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.81 1.644 . . . . 0.0 110.736 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 1.2 mmmm -57.28 -57.21 13.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.22 -2.175 . . . . 0.0 107.42 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -47.75 -44.66 28.3 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 117.772 -1.109 . . . . 0.0 112.809 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -72.24 -46.23 56.92 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.881 1.219 . . . . 0.0 111.319 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -51.46 -47.87 62.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.482 1.513 . . . . 0.0 108.606 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.55 -53.92 52.69 Favored 'General case' 0 C--N 1.333 -0.127 0 O-C-N 120.971 -1.081 . . . . 0.0 110.888 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.2 ttp -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 124.632 1.173 . . . . 0.0 113.113 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -94.35 -30.5 14.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.717 0.77 . . . . 0.0 110.768 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.77 -43.53 75.56 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -61.09 -29.59 69.84 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.821 -1.174 . . . . 0.0 111.026 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.7 -37.95 79.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.656 1.183 . . . . 0.0 111.05 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.7 -42.72 63.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.68 -46.24 90.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.041 0.936 . . . . 0.0 110.154 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.66 -27.42 69.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.237 1.015 . . . . 0.0 112.399 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.9 mmt -85.55 -7.69 58.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.232 1.013 . . . . 0.0 111.829 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.15 33.71 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 125.292 1.425 . . . . 0.0 110.485 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -115.95 -35.5 4.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.53 132.19 48.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.753 -174.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -53.52 -48.96 68.54 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.514 1.526 . . . . 0.0 114.494 -172.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -149.96 145.32 26.39 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.027 1.285 . . . . 0.0 111.538 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 p -62.03 -31.15 71.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.626 1.571 . . . . 0.0 113.573 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -60.54 -28.34 68.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.48 -0.762 . . . . 0.0 111.229 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.69 -46.53 87.71 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -56.12 16.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 120.572 1.533 . . . . 0.0 108.104 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -43.46 46.05 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.707 1.594 . . . . 0.0 112.41 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.97 -46.57 67.78 Favored 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 128.556 2.742 . . . . 0.0 109.246 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -67.55 -48.4 67.06 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.387 0.0 OUTLIER -63.81 -29.33 70.54 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.473 2.309 . . . . 0.0 114.713 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptt85 -57.29 -46.04 83.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.427 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.13 -40.81 64.6 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.126 1.77 . . . . 0.0 107.223 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.73 -55.46 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.247 0 CA-C-N 121.191 1.814 . . . . 0.0 107.241 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.76 -0.24 17.57 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.454 -171.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -65.45 1.01 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.241 1.416 . . . . 0.0 111.379 160.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.86 -60.46 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 128.262 2.625 . . . . 0.0 111.96 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -33.44 61.93 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.53 -0.731 . . . . 0.0 109.944 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 m -74.69 -28.34 60.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.434 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.2 -45.45 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 122.425 2.375 . . . . 0.0 110.419 172.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tp -58.84 -53.43 58.51 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.856 0.722 . . . . 0.0 109.059 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -52.62 16.94 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.378 1.071 . . . . 0.0 111.038 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.72 -22.45 65.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.943 1.697 . . . . 0.0 111.598 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -86.79 -19.74 28.6 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.338 -1.315 . . . . 0.0 112.864 172.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.18 -57.21 9.11 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -30.19 63.36 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.11 63.65 1.37 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -169.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 129.419 3.088 . . . . 0.0 109.532 167.412 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.386 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m 41.47 -15.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.665 3.186 . . . . 0.0 118.681 -144.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 3' ' ' ALA . 15.6 pt-20 -101.08 -57.3 2.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 170.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.08 -15.15 61.07 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.167 -1.583 . . . . 0.0 113.737 -169.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -17.99 25.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 120.976 1.716 . . . . 0.0 111.11 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -80.85 -23.15 39.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.826 -166.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.43 162.23 8.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 118.289 0.495 . . . . 0.0 111.626 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -74.21 162.73 28.64 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.397 -0.815 . . . . 0.0 110.117 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.85 40.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.867 1.212 . . . . 0.0 112.98 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.24 -47.61 10.62 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.307 0.643 . . . . 0.0 111.836 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.31 -40.86 83.15 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 mt -51.41 -68.98 0.12 Allowed 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 127.575 2.35 . . . . 0.0 108.463 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.42 64.78 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 117.325 -1.322 . . . . 0.0 109.687 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -72.62 -2.32 19.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.855 1.207 . . . . 0.0 112.409 -174.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -54.75 3.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 164.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -22.75 40.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.921 -0.487 . . . . 0.0 110.685 -159.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.69 -51.69 46.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 111.281 158.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -54.12 50.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.532 1.06 . . . . 0.0 111.038 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -57.44 -57.42 12.76 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 45.5 pttt -52.54 -41.74 63.79 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.909 1.686 . . . . 0.0 111.675 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -66.1 -50.26 64.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 121.208 1.822 . . . . 0.0 110.592 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -48.03 -47.39 33.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.777 1.631 . . . . 0.0 111.028 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -54.2 -50.32 67.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.024 -1.048 . . . . 0.0 111.921 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtp -72.54 -20.46 61.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.714 1.206 . . . . 0.0 112.538 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.93 -38.75 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.636 1.974 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.99 -39.93 79.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 120.305 -1.497 . . . . 0.0 108.651 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -62.96 -22.95 67.17 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.908 -1.745 . . . . 0.0 112.279 172.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -73.21 -43.35 61.44 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.4 0.68 . . . . 0.0 109.679 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.39 -34.19 75.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 119.973 1.26 . . . . 0.0 109.244 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.88 -54.88 27.89 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 119.764 1.165 . . . . 0.0 110.796 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.75 -36.28 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 113.938 -1.483 . . . . 0.0 110.104 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.4 mmt -86.5 -11.17 52.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.159 0.984 . . . . 0.0 113.099 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.73 45.24 9.55 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 126.399 1.952 . . . . 0.0 110.547 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -127.17 -21.6 3.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.592 1.557 . . . . 0.0 109.911 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -75.47 113.55 13.0 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 113.385 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 80.26 1.79 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.311 1.044 . . . . 0.0 111.639 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 69.46 119.22 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.88 2.872 . . . . 0.0 115.573 171.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.0 m -65.95 -4.54 7.21 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.045 2.538 . . . . 0.0 115.821 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -35.96 69.72 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 121.346 1.885 . . . . 0.0 110.788 164.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.46 -38.83 88.22 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.199 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -55.3 16.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.726 1.148 . . . . 0.0 109.212 172.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -45.21 65.03 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 120.204 1.366 . . . . 0.0 110.863 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.01 -12.62 60.17 Favored 'General case' 0 N--CA 1.433 -1.279 0 O-C-N 121.635 -0.666 . . . . 0.0 109.925 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.2 m -87.98 -51.34 5.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.418 1.487 . . . . 0.0 108.419 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.414 0.0 OUTLIER -54.45 -33.39 59.46 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 122.476 2.398 . . . . 0.0 115.033 174.037 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -52.23 -45.98 65.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.24 0.927 . . . . 0.0 109.895 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.63 -44.02 21.76 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 126.342 1.857 . . . . 0.0 107.284 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.96 -49.97 77.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -4.01 32.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.478 1.035 . . . . 0.0 112.869 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -64.95 1.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.097 1.359 . . . . 0.0 110.64 164.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -56.51 -57.45 9.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 126.098 1.759 . . . . 0.0 110.325 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -36.22 70.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.844 0.747 . . . . 0.0 109.89 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -63.91 -37.13 86.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 116.829 -1.558 . . . . 0.0 111.124 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -56.56 -44.7 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.754 2.07 . . . . 0.0 111.438 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -55.54 32.69 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -53.53 24.7 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 125.674 1.59 . . . . 0.0 112.153 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.75 -49.15 29.17 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.269 2.228 . . . . 0.0 109.029 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.36 -17.37 62.43 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.365 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.15 -52.5 27.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.176 1.353 . . . . 0.0 107.779 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -9.42 46.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.628 1.104 . . . . 0.0 112.212 -175.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 44.51 43.33 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 103.622 -2.732 . . . . 0.0 103.622 154.406 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 116.549 -1.691 . . . . 0.0 114.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.0 m -51.33 -27.08 8.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 122.136 2.243 . . . . 0.0 113.642 -166.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.16 -70.3 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.279 2.632 . . . . 0.0 112.475 161.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.64 -39.4 93.75 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 119.736 -1.852 . . . . 0.0 113.794 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -8.04 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.76 1.224 . . . . 0.0 111.658 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -16.65 53.96 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.42 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' LEU 0.274 31.7 m-85 -64.94 153.32 40.82 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 119.473 1.033 . . . . 0.0 109.3 -177.6 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.18 162.12 29.91 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.665 -0.647 . . . . 0.0 109.295 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -25.58 25.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.694 1.133 . . . . 0.0 112.133 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -48.85 11.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.038 1.735 . . . . 0.0 111.868 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.39 -40.65 97.81 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 118.977 0.808 . . . . 0.0 110.44 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 9' ' ' TYR . 31.3 mt -53.73 -64.52 0.8 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 126.599 1.96 . . . . 0.0 106.901 -176.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -44.58 72.54 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.305 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -72.31 -2.54 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.684 1.129 . . . . 0.0 112.96 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.5 -50.59 2.94 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 127.838 2.455 . . . . 0.0 108.161 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.67 -31.36 63.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.49 -0.756 . . . . 0.0 109.391 -178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.35 -30.66 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.929 168.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.58 -56.04 8.44 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.441 1.096 . . . . 0.0 110.41 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -53.43 -59.98 3.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -45.62 -47.07 14.79 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 116.401 -1.761 . . . . 0.0 112.787 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -67.33 -54.47 20.34 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 116.414 -1.755 . . . . 0.0 108.634 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -44.54 -41.75 6.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 121.068 1.758 . . . . 0.0 111.548 -173.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.47 -55.48 28.52 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.564 -1.335 . . . . 0.0 112.18 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.6 mmm -68.31 -21.37 64.77 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.52 -42.38 9.74 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 124.588 1.155 . . . . 0.0 108.362 -172.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -67.86 -40.56 83.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.326 -1.484 . . . . 0.0 108.544 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -58.79 -27.75 65.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.325 -1.485 . . . . 0.0 111.529 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -79.4 -27.62 41.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.495 1.118 . . . . 0.0 110.935 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.43 -32.83 70.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 121.751 2.069 . . . . 0.0 106.995 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.44 -43.88 69.0 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 118.537 0.608 . . . . 0.0 110.802 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.21 68.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.435 0.694 . . . . 0.0 110.732 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -50.39 20.6 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 109.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 40.29 0.58 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.168 1.365 . . . . 0.0 111.482 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 -25.04 2.73 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.724 1.21 . . . . 0.0 110.706 -168.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -52.41 148.15 7.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.563 1.145 . . . . 0.0 112.715 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -118.03 126.12 51.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.116 1.367 . . . . 0.0 107.745 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m120 47.0 98.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 130.082 3.353 . . . . 0.0 113.174 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.5 p -56.77 -21.06 25.68 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.819 -1.176 . . . . 0.0 112.215 172.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 m -53.86 -30.34 45.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.664 1.186 . . . . 0.0 111.883 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -43.01 39.46 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.912 1.285 . . . . 0.0 110.796 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -43.26 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.876 1.216 . . . . 0.0 110.499 171.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -55.67 13.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 127.174 2.19 . . . . 0.0 112.274 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.57 -37.91 79.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 126.094 1.757 . . . . 0.0 109.043 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -67.44 -46.54 72.81 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.304 0.0 OUTLIER -60.42 -33.52 72.64 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 118.883 -2.386 . . . . 0.0 115.187 175.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -62.45 -47.1 85.53 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.7 -35.27 52.28 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.121 0.888 . . . . 0.0 110.054 -170.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.58 -50.82 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 169.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.74 37.08 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.101 -1.039 . . . . 0.0 112.72 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -65.16 1.05 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.871 2.068 . . . . 0.0 108.745 167.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -58.05 -54.31 33.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 O-C-N 121.186 -0.946 . . . . 0.0 111.911 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.668 1.576 . . . . 0.0 110.28 -176.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 m -62.14 -39.41 92.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.487 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.74 -39.9 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.251 1.841 . . . . 0.0 109.954 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.99 -49.65 76.1 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.27 98.17 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.027 0.931 . . . . 0.0 110.241 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.68 -26.54 56.81 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.548 1.539 . . . . 0.0 112.621 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mtp-105 -94.9 -16.78 22.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.627 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -68.91 -63.83 0.99 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.46 58.36 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.531 1.514 . . . . 0.0 113.062 -172.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.51 68.84 1.48 Allowed Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -168.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 CA--C 1.535 0.377 0 C-N-CA 124.492 1.117 . . . . 0.0 110.163 173.646 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -40.14 -31.68 0.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 120.311 1.414 . . . . 0.0 112.985 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.99 -28.16 39.52 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.89 -43.1 5.91 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 125.053 1.341 . . . . 0.0 110.598 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -11.31 43.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.827 0.739 . . . . 0.0 110.61 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -9.67 58.76 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 116.438 -1.744 . . . . 0.0 113.178 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -84.98 168.98 14.46 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 49.9 p -95.7 155.91 16.55 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-O 116.021 -1.943 . . . . 0.0 107.084 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -33.64 -44.39 0.15 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 129.353 3.061 . . . . 0.0 112.06 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.77 -47.96 23.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.761 -1.108 . . . . 0.0 113.729 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB2' ' H ' ' A' ' 10' ' ' THR . 13.3 mt-10 -64.7 -31.8 73.18 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.08 172.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -65.55 0.61 Allowed 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -41.85 76.03 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 120.536 1.517 . . . . 0.0 110.599 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.8 -7.62 35.79 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.56 -43.78 5.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 127.512 2.325 . . . . 0.0 107.602 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.7 -25.74 30.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 120.881 -1.137 . . . . 0.0 109.961 -168.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -41.57 95.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.638 162.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -69.63 -45.82 67.63 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.261 1.024 . . . . 0.0 110.548 -173.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.79 -58.17 9.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -45.92 49.23 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.164 1.802 . . . . 0.0 112.113 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -66.83 -44.91 79.85 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 116.816 -1.564 . . . . 0.0 111.729 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -48.8 -49.89 36.82 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 119.97 1.259 . . . . 0.0 108.69 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.66 -53.46 30.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.632 0.651 . . . . 0.0 111.251 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttt -57.73 -32.21 67.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.818 1.647 . . . . 0.0 114.4 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.57 -40.66 10.66 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.204 1.001 . . . . 0.0 110.723 -172.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.49 -46.97 87.28 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.343 1.057 . . . . 0.0 109.504 170.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.14 -22.62 64.86 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.634 -1.291 . . . . 0.0 112.313 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.76 -31.7 52.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.674 1.19 . . . . 0.0 110.202 173.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -74.96 -33.75 61.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 121.413 1.915 . . . . 0.0 107.059 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.71 -54.72 43.75 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 124.182 0.993 . . . . 0.0 111.058 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.62 -36.24 69.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.916 0.886 . . . . 0.0 110.498 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.5 mmt -75.26 -12.33 60.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.367 1.067 . . . . 0.0 112.496 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.3 13.5 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 127.854 2.645 . . . . 0.0 111.431 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.73 -23.53 8.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.678 1.239 . . . . 0.0 111.57 -165.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tt -82.62 115.58 21.64 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.837 1.255 . . . . 0.0 111.741 172.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -24.78 -77.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -172.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -160.3 44.1 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.132 0.573 . . . . 0.0 110.437 -167.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.6 p 53.09 -8.82 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 128.482 2.713 . . . . 0.0 117.62 -175.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -57.02 -42.3 80.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 120.742 1.61 . . . . 0.0 110.385 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.96 0.904 . . . . 0.0 109.348 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.7 84.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 119.27 0.941 . . . . 0.0 110.749 173.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -44.05 86.81 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 120.499 1.499 . . . . 0.0 109.295 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.55 -17.47 62.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.83 1.652 . . . . 0.0 112.917 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -83.47 -54.79 4.7 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -49.46 -42.9 44.42 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.188 2.195 . . . . 0.0 112.911 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.92 70.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 119.304 0.956 . . . . 0.0 111.268 176.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -38.15 48.13 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.91 -41.52 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 120.901 1.682 . . . . 0.0 108.915 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.2 80.25 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.605 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -59.98 4.35 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.043 1.292 . . . . 0.0 111.919 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.53 -54.43 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 124.933 1.293 . . . . 0.0 111.269 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -35.0 78.24 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.975 -1.703 . . . . 0.0 109.257 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -56.52 -44.68 81.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 116.622 -1.656 . . . . 0.0 110.047 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -50.59 -55.59 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 116.518 -1.706 . . . . 0.0 107.547 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.31 -49.06 73.13 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 119.645 1.111 . . . . 0.0 108.997 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -47.26 74.27 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.316 0.962 . . . . 0.0 111.489 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.57 -38.99 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.084 0.954 . . . . 0.0 110.93 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -70.67 -26.57 63.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.224 1.01 . . . . 0.0 112.031 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.94 -52.47 49.48 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -20.8 46.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.37 0.986 . . . . 0.0 112.471 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.79 18.36 54.65 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.038 -0.868 . . . . 0.0 113.52 -173.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 125.784 1.634 . . . . 0.0 111.433 -179.642 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 9.7 p -40.43 -27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.062 0.851 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 7.7 pt-20 -89.38 -41.3 12.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.484 ' CD2' HG13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -72.12 -49.64 34.4 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.655 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -76.1 -0.08 20.64 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.485 177.772 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 4' ' ' SER . 1.4 t30 -75.52 -4.75 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 109.582 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.637 ' HB2' HD12 ' A' ' 14' ' ' LEU . 70.3 m-85 -104.27 167.4 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 111.58 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 p -85.23 148.8 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER -38.17 -50.52 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.838 0.711 . . . . 0.0 109.382 -179.563 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -59.45 -44.31 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.255 0.972 . . . . 0.0 110.651 179.357 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.33 -43.36 77.69 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.106 0.879 . . . . 0.0 110.457 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 1.546 ' CD1' HD11 ' A' ' 14' ' ' LEU . 1.7 mm? -42.74 -67.25 0.29 Allowed 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.044 0.84 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -53.57 -41.93 67.04 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.999 0.812 . . . . 0.0 109.168 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.4 -5.58 19.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.162 0.914 . . . . 0.0 109.36 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -108.84 -36.92 6.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -83.37 -42.4 17.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.06 0.85 . . . . 0.0 108.952 -179.1 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.71 -28.95 36.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.196 0.935 . . . . 0.0 110.193 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -80.11 -32.2 39.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.248 0.968 . . . . 0.0 109.766 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 26.8 mmmt -76.15 -56.13 4.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -57.68 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.296 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -59.41 -45.03 92.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.35 1.031 . . . . 0.0 110.118 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.463 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -44.51 -58.51 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.052 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 tm? -47.93 -50.96 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.942 0.776 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 tpt -64.96 -24.91 67.66 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.589 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -84.56 -33.86 23.36 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.987 0.804 . . . . 0.0 109.852 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 46' ' ' THR . 0.2 OUTLIER -71.24 -50.11 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -58.17 -28.58 64.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.22 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.1 -29.36 66.3 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -72.88 -51.01 20.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.19 0.931 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.33 -51.98 64.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.06 0.85 . . . . 0.0 109.646 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.81 -31.89 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.789 1.306 . . . . 0.0 109.526 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.108 0.88 . . . . 0.0 111.191 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.91 45.05 1.14 Allowed Glycine 0 C--O 1.223 -0.575 0 O-C-N 124.229 0.955 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -121.97 -38.29 2.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.064 0.508 . . . . 0.0 110.13 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.72 166.51 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.097 0.873 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -123.64 79.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.053 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.03 121.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.272 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' ILE . 44.8 p -54.79 -28.16 47.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.222 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -39.86 -35.94 0.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.68 -53.32 49.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.718 1.261 . . . . 0.0 109.299 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -50.0 -61.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.02 0.825 . . . . 0.0 109.199 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -44.7 -38.84 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.078 0.861 . . . . 0.0 109.182 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.35 -39.97 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.166 0.916 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 28' ' ' LEU . 1.5 m -70.2 -36.84 74.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 123.784 0.678 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 42.6 tptt -63.43 -55.22 26.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.02 0.825 . . . . 0.0 108.971 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 4.3 ptm180 -44.56 -33.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 2.1 m-20 -87.99 -34.31 18.09 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.612 1.195 . . . . 0.0 108.852 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -66.21 -48.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.4 70.71 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.68 -50.78 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.514 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 6' ' ' LEU . 1.4 mp -67.18 -51.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.83 -17.27 22.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 123.849 0.718 . . . . 0.0 109.359 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -42.33 18.14 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.291 0.994 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.454 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 2.2 mm -47.14 -49.14 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.35 1.031 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . 3.6 tp -56.33 -52.37 64.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.357 1.035 . . . . 0.0 109.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -36.55 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.82 0.7 . . . . 0.0 110.334 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.11 -36.93 83.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.295 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -95.5 0.35 53.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.452 ' CB ' HD13 ' A' ' 62' ' ' LEU . 4.9 mt-10 -74.72 -50.56 17.04 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.221 0.951 . . . . 0.0 109.51 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -89.64 -60.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 108.732 -178.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.32 42.82 0.02 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.9 mm . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.51 152.97 37.04 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 120.414 1.461 . . . . 0.0 111.121 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.541 2.337 . . . . 0.0 108.702 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m 49.47 -70.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 127.73 2.412 . . . . 0.0 109.406 -141.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.86 -51.1 71.01 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.135 1.374 . . . . 0.0 109.178 -166.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.42 -13.71 62.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.24 -12.16 18.2 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 119.812 1.187 . . . . 0.0 112.923 165.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -84.46 -23.84 29.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.27 1.428 . . . . 0.0 112.171 -170.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -58.41 162.55 3.63 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 118.924 0.784 . . . . 0.0 110.249 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 p -80.58 163.68 23.49 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.4 -0.813 . . . . 0.0 109.668 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.05 -26.9 61.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.476 1.489 . . . . 0.0 112.76 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.65 -39.4 31.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.732 2.013 . . . . 0.0 112.429 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.9 -46.64 65.0 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.005 -1.059 . . . . 0.0 110.757 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.1 mt -53.85 -57.89 9.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.937 1.695 . . . . 0.0 108.347 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -50.61 59.95 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.221 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.36 -11.79 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.53 -46.68 4.68 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.071 0.939 . . . . 0.0 108.874 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -75.1 -31.26 61.11 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.222 -173.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -57.0 -42.41 80.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.154 0.909 . . . . 0.0 109.893 165.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.49 -48.51 74.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.166 0.987 . . . . 0.0 109.804 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -55.88 -62.12 1.91 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 125.546 1.539 . . . . 0.0 108.255 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -47.61 -50.23 24.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 116.593 -1.67 . . . . 0.0 112.463 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -60.14 -55.78 29.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.162 1.347 . . . . 0.0 109.567 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.38 -49.55 13.0 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 126.359 1.863 . . . . 0.0 111.083 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.14 -50.57 70.74 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.8 mtt -64.72 -28.55 69.67 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.759 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -84.75 -35.83 22.17 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.673 1.124 . . . . 0.0 109.091 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.02 -49.26 70.87 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.06 0.944 . . . . 0.0 109.093 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -57.04 -36.67 70.76 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.016 -1.052 . . . . 0.0 111.115 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.87 -26.67 67.75 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.254 1.021 . . . . 0.0 111.374 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -81.06 -36.0 31.06 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 120.895 1.68 . . . . 0.0 108.091 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.6 -53.45 34.26 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.719 1.207 . . . . 0.0 109.754 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.36 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.509 1.924 . . . . 0.0 111.942 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp -82.55 -74.59 0.34 Allowed 'General case' 0 N--CA 1.432 -1.349 0 C-N-CA 123.07 0.548 . . . . 0.0 111.46 161.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.33 49.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.486 0 C-N-CA 124.956 1.265 . . . . 0.0 111.957 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -120.73 -60.1 1.69 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.146 1.778 . . . . 0.0 108.664 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.75 144.59 56.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.174 0.99 . . . . 0.0 109.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -141.5 -24.62 0.71 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -86.73 101.59 13.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.589 1.086 . . . . 0.0 109.955 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.2 p -81.93 -21.49 37.25 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 120.892 -1.13 . . . . 0.0 113.337 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 m -60.4 -38.92 85.5 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 119.224 0.92 . . . . 0.0 109.303 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.07 -49.68 74.97 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.35 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 119.675 1.125 . . . . 0.0 110.306 173.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.9 85.21 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.332 1.053 . . . . 0.0 112.943 -170.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.52 -43.68 89.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.641 2.376 . . . . 0.0 109.674 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.2 m -61.9 -42.43 99.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -54.56 -42.62 71.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 121.392 1.906 . . . . 0.0 114.063 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -45.91 90.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -174.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.53 -33.77 28.09 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.576 -173.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -50.06 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.293 0 O-C-N 119.891 -1.755 . . . . 0.0 107.776 166.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.01 73.33 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.089 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -57.64 11.16 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 120.555 1.525 . . . . 0.0 113.145 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.1 mt -54.03 -55.85 12.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.449 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.64 67.22 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.153 -1.592 . . . . 0.0 110.406 -176.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -62.76 -47.76 82.11 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.336 164.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mm -51.63 -49.85 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 120.887 1.676 . . . . 0.0 108.191 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -54.22 -53.07 58.6 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.175 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -56.23 11.12 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.302 0.956 . . . . 0.0 110.668 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.01 -40.03 63.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.277 1.431 . . . . 0.0 109.589 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -70.51 -29.33 65.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.544 0.737 . . . . 0.0 112.009 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -62.35 -55.48 27.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.051 0.94 . . . . 0.0 109.336 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -23.33 50.95 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.168 1.349 . . . . 0.0 113.811 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.78 2.95 14.19 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.717 -1.046 . . . . 0.0 113.818 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mm -73.67 -19.02 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 120.276 2.038 . . . . 0.0 110.433 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -136.56 47.19 2.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 110.076 -176.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 129.084 2.954 . . . . 0.0 111.154 -176.441 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -63.96 156.45 27.84 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.012 -1.68 . . . . 0.0 109.502 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.92 1.76 26.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 115.72 -2.086 . . . . 0.0 111.495 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 m -46.21 -39.62 10.07 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 122.074 2.215 . . . . 0.0 110.892 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.35 -60.72 2.88 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.713 1.605 . . . . 0.0 112.947 172.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.68 -47.03 61.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 125.547 1.539 . . . . 0.0 109.637 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.78 63.33 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.888 0.875 . . . . 0.0 111.247 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -19.74 60.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 118.224 -0.893 . . . . 0.0 112.644 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . 0.268 38.5 m-85 -65.86 161.22 21.57 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 119.616 1.098 . . . . 0.0 109.405 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.63 160.59 25.02 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -35.63 60.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.66 1.573 . . . . 0.0 112.272 -171.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.09 -51.28 40.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.549 1.54 . . . . 0.0 112.197 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.37 -37.9 89.05 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.075 -1.015 . . . . 0.0 111.868 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.4 mt -53.48 -65.61 0.53 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.464 1.505 . . . . 0.0 107.367 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -41.96 79.98 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 116.911 -1.518 . . . . 0.0 111.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -65.11 -15.4 62.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 120.367 1.44 . . . . 0.0 113.163 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.39 -43.49 5.92 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.97 -28.98 49.55 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -172.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -59.81 -36.38 76.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.904 164.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.0 -51.5 61.32 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.772 0.715 . . . . 0.0 110.789 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -56.77 -56.95 15.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 120.547 -1.346 . . . . 0.0 107.512 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -48.21 -42.73 30.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 115.964 -1.97 . . . . 0.0 113.76 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -70.3 -50.36 40.16 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.836 2.107 . . . . 0.0 110.044 173.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -45.98 -44.93 15.39 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 126.87 2.068 . . . . 0.0 111.046 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.47 -54.88 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.001 -1.062 . . . . 0.0 111.752 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 53.1 mtt -65.7 -26.89 67.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.229 0.612 . . . . 0.0 112.368 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.56 -36.52 22.07 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.115 2.166 . . . . 0.0 111.077 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.59 -51.81 13.52 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -54.71 -31.87 58.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.473 0.578 . . . . 0.0 110.645 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -67.59 -36.27 80.56 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.404 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -77.9 -20.94 52.0 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 121.709 2.05 . . . . 0.0 108.491 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.93 -55.72 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.351 1.06 . . . . 0.0 110.429 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.44 20.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.632 1.973 . . . . 0.0 111.649 176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -75.8 0.19 Allowed 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 124.036 0.934 . . . . 0.0 109.425 165.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.3 31.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 114.731 0.653 . . . . 0.0 114.731 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -112.95 -37.01 4.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.538 2.735 . . . . 0.0 109.498 -164.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.68 123.88 22.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.039 1.736 . . . . 0.0 109.81 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -70.59 -36.26 73.47 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -166.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -155.84 162.46 40.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.453 1.479 . . . . 0.0 111.252 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -102.8 -13.14 17.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -63.36 -31.4 72.54 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 120.113 1.324 . . . . 0.0 110.534 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.94 -56.32 20.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.95 -44.58 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.631 0.772 . . . . 0.0 110.856 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -43.11 95.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.144 0.978 . . . . 0.0 112.441 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -30.49 70.06 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.884 1.674 . . . . 0.0 107.658 174.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -66.29 -54.46 24.5 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.68 -1.263 . . . . 0.0 108.509 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.426 0.0 OUTLIER -57.42 -23.64 50.71 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.357 1.89 . . . . 0.0 114.98 176.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -70.38 -48.58 55.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.606 1.548 . . . . 0.0 107.899 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.54 77.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.93 -50.91 76.3 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 119.755 1.161 . . . . 0.0 107.952 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.67 -4.75 32.99 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 119.077 0.853 . . . . 0.0 112.457 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -64.47 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.217 1.407 . . . . 0.0 108.903 165.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 mp -54.01 -54.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 125.403 1.481 . . . . 0.0 112.061 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -23.06 67.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 119.193 0.906 . . . . 0.0 111.248 -175.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -76.2 -43.25 43.26 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.584 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mm -46.35 -49.32 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.716 1.598 . . . . 0.0 111.467 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -52.57 -59.4 4.49 Favored 'General case' 0 C--O 1.223 -0.313 0 O-C-N 124.426 1.079 . . . . 0.0 108.424 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -50.0 59.49 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.252 1.421 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.22 -37.96 56.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.844 1.258 . . . . 0.0 111.911 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -69.8 -35.28 74.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.31 -55.18 36.83 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 125.524 1.765 . . . . 0.0 108.986 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -54.61 12.31 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.035 0.38 . . . . 0.0 111.3 -174.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.11 -3.75 0.58 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 -161.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm -75.94 -29.18 19.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 119.381 1.59 . . . . 0.0 110.628 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -133.04 75.01 1.6 Allowed 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 112.46 -2.155 . . . . 0.0 108.442 169.018 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 120.75 0.309 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -89.16 152.87 21.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.754 1.221 . . . . 0.0 108.817 170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.13 -75.33 0.59 Allowed 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.825 1.25 . . . . 0.0 108.351 169.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 m 62.82 -60.82 0.13 Allowed 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 127.386 2.274 . . . . 0.0 110.248 -147.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.92 -46.69 42.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.921 1.343 . . . . 0.0 109.847 -166.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 mt -81.16 -9.99 59.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.624 1.169 . . . . 0.0 111.962 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -3.64 39.77 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.33 -1.481 . . . . 0.0 110.639 165.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.2 -37.84 23.09 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 117.115 -1.421 . . . . 0.0 110.518 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' HB2' ' CD1' ' A' ' 14' ' ' LEU 0.336 14.1 m-85 -73.25 172.13 11.73 Favored 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 124.086 0.866 . . . . 0.0 110.42 -174.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.7 p -84.55 150.89 24.92 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -38.32 -38.34 0.35 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.207 1.803 . . . . 0.0 110.303 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.9 -41.38 91.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.06 1.744 . . . . 0.0 113.835 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.74 -39.58 35.8 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.35 1.86 . . . . 0.0 111.019 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -53.92 -66.59 0.37 Allowed 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 125.467 1.507 . . . . 0.0 107.831 173.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -45.85 29.5 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.783 1.628 . . . . 0.0 111.119 -174.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -68.19 -14.87 63.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.0 -44.72 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.527 1.531 . . . . 0.0 108.829 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -32.59 57.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -171.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.51 -36.76 71.97 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.209 0.943 . . . . 0.0 110.294 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.49 -51.01 65.18 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 122.983 0.513 . . . . 0.0 109.766 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -59.23 -56.87 16.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -46.94 -47.57 21.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 116.848 -1.548 . . . . 0.0 111.811 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -66.08 -53.33 39.59 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 119.436 1.017 . . . . 0.0 111.122 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.02 -41.6 59.91 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 119.833 1.197 . . . . 0.0 111.402 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 tp -53.57 -52.64 59.09 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.081 1.31 . . . . 0.0 110.836 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.4 mtp -65.88 -24.85 66.95 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.764 0.825 . . . . 0.0 113.086 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.24 -40.32 10.5 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.816 -1.177 . . . . 0.0 109.418 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.61 -38.61 91.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 119.915 -1.74 . . . . 0.0 109.786 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm85 -65.35 -23.69 67.06 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.251 -0.906 . . . . 0.0 111.274 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -73.79 -36.97 65.08 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.274 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -76.01 -34.22 59.7 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 121.297 1.862 . . . . 0.0 107.125 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.777 1.631 . . . . 0.0 111.129 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.09 69.45 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.636 1.174 . . . . 0.0 111.318 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -74.11 -26.31 60.27 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.756 0.822 . . . . 0.0 111.679 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.36 19.0 8.65 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 126.409 1.957 . . . . 0.0 114.235 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -111.8 -28.35 8.11 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 119.535 1.668 . . . . 0.0 111.985 -163.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 84.94 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.89 2.076 . . . . 0.0 111.24 172.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -84.33 -2.66 57.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.451 -165.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -127.59 96.61 4.59 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 120.256 1.389 . . . . 0.0 109.7 166.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -61.87 -20.65 63.94 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 m -62.72 -29.66 70.84 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 119.727 1.148 . . . . 0.0 111.889 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.52 -46.69 87.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.178 0.899 . . . . 0.0 108.817 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.63 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 118.613 0.642 . . . . 0.0 109.433 173.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -40.72 70.52 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.317 1.047 . . . . 0.0 112.252 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.76 -32.91 70.22 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.596 1.558 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -72.41 -49.16 35.78 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.002 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER -56.85 -29.12 62.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 122.445 2.384 . . . . 0.0 115.45 174.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -65.58 -39.56 91.75 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.28 -33.51 16.1 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.557 -1.211 . . . . 0.0 108.952 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.83 -53.99 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -25.06 65.73 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 117.811 -1.555 . . . . 0.0 111.069 -169.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -58.69 3.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.711 1.204 . . . . 0.0 111.165 170.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.1 -58.48 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 C-N-CA 126.256 1.823 . . . . 0.0 110.836 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -30.97 67.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.832 0.742 . . . . 0.0 110.507 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.8 m -67.45 -34.96 78.27 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.68 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mm -54.29 -49.53 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 122.15 2.25 . . . . 0.0 109.569 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.46 -56.19 14.64 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -47.33 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.005 0.922 . . . . 0.0 111.696 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.74 -38.45 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.339 0.656 . . . . 0.0 110.751 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.487 0.715 . . . . 0.0 111.182 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.111 0.965 . . . . 0.0 110.739 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -11.67 37.64 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.992 0.815 . . . . 0.0 112.027 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.34 43.99 18.6 Favored Glycine 0 N--CA 1.451 -0.32 0 O-C-N 121.387 -0.821 . . . . 0.0 112.951 -170.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -80.64 -30.62 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 C-N-CA 125.061 1.345 . . . . 0.0 109.485 163.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -110.08 26.51 10.59 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.965 1.706 . . . . 0.0 110.301 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 . . . . . 0 C--O 1.245 0.825 0 C-N-CA 128.66 2.784 . . . . 0.0 111.673 -176.329 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -58.2 -37.31 74.55 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.723 1.209 . . . . 0.0 111.498 -175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.24 -64.76 1.2 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.998 1.719 . . . . 0.0 108.446 155.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m 32.82 -71.11 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 127.82 2.448 . . . . 0.0 110.077 -124.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 125.751 1.62 . . . . 0.0 111.596 -157.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.12 -1.74 27.58 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.455 -1.403 . . . . 0.0 113.256 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -108.78 -9.76 15.19 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 118.919 -2.363 . . . . 0.0 110.582 164.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -81.48 -32.84 32.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 117.503 -1.237 . . . . 0.0 111.193 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.496 ' HB2' ' CD1' ' A' ' 14' ' ' LEU 0.292 96.5 m-85 -65.32 174.16 2.24 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 120.199 1.363 . . . . 0.0 111.535 -176.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 p -78.2 147.88 34.27 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 160.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.26 -33.11 1.47 Allowed 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.666 1.986 . . . . 0.0 112.713 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.92 -47.77 61.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.268 1.427 . . . . 0.0 113.749 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -66.86 -32.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.762 1.225 . . . . 0.0 111.342 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 1.3 mm? -60.77 -65.95 0.61 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -42.91 72.97 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 120.595 1.543 . . . . 0.0 110.45 -173.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -67.89 -6.0 19.59 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -109.32 -44.66 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.134 1.374 . . . . 0.0 108.562 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -32.86 63.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.212 0.605 . . . . 0.0 109.675 -175.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.9 -36.43 67.66 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.317 0.647 . . . . 0.0 110.137 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.28 -41.21 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.107 0.479 . . . . 0.0 110.322 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 27.3 mmmt -60.42 -62.8 1.6 Allowed 'General case' 0 N--CA 1.443 -0.825 0 O-C-N 120.113 -1.617 . . . . 0.0 108.302 172.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -40.12 57.46 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.507 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -69.83 -50.35 43.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.511 1.505 . . . . 0.0 111.081 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.55 -40.42 51.86 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 125.194 1.397 . . . . 0.0 109.462 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.23 -47.85 69.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 120.985 -1.072 . . . . 0.0 112.848 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.3 mtt -66.42 -4.86 9.1 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.842 172.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -35.31 7.11 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.396 0.617 . . . . 0.0 111.125 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.82 -36.52 80.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 119.347 -2.096 . . . . 0.0 108.351 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -59.04 -33.78 71.17 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.275 -1.516 . . . . 0.0 111.81 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -35.87 73.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.936 1.294 . . . . 0.0 110.726 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.68 -41.74 75.04 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 120.433 1.47 . . . . 0.0 107.881 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.56 -53.05 61.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.241 0.616 . . . . 0.0 109.833 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -14.77 35.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.522 1.129 . . . . 0.0 112.806 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -40.55 12.55 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.473 1.109 . . . . 0.0 111.265 168.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.97 26.87 1.31 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 127.938 2.685 . . . . 0.0 113.564 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -118.83 -20.25 8.27 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.941 1.37 . . . . 0.0 111.936 -160.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 109.78 0.75 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.475 1.51 . . . . 0.0 114.061 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -58.44 85.5 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.421 2.288 . . . . 0.0 112.832 166.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 m120 61.54 123.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.803 2.841 . . . . 0.0 112.495 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -9.99 12.46 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 119.553 -1.967 . . . . 0.0 113.705 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -49.63 -39.5 36.12 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 120.897 -1.127 . . . . 0.0 111.986 162.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -48.75 80.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.777 1.231 . . . . 0.0 109.127 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -53.91 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 171.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -43.66 84.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.745 1.157 . . . . 0.0 112.386 -174.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.43 -34.08 75.35 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 125.795 1.638 . . . . 0.0 109.168 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -74.37 -42.89 58.55 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.21 -47.29 65.72 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.034 -1.666 . . . . 0.0 111.894 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -56.63 -37.2 70.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 110.349 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.88 -31.78 18.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.135 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -54.02 40.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 107.586 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.41 65.04 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.458 -170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -60.76 2.25 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.076 1.75 . . . . 0.0 109.623 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 ' CD1' ' HE2' ' A' ' 21' ' ' LYS . 28.5 mt -60.45 -52.4 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.557 1.543 . . . . 0.0 112.042 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.68 67.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.895 0.77 . . . . 0.0 110.271 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -62.96 -44.54 95.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 117.092 -1.432 . . . . 0.0 110.822 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -49.69 -47.52 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.628 1.558 . . . . 0.0 111.149 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.6 -53.91 48.35 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -48.76 63.82 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.96 -1.088 . . . . 0.0 112.463 174.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.51 -31.42 66.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.048 0.939 . . . . 0.0 111.493 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -69.25 -34.17 74.37 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.482 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.37 -61.3 2.31 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 118.522 -0.752 . . . . 0.0 109.543 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.7 176.74 7.43 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.03 17.06 1.4 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.127 -1.608 . . . . 0.0 116.545 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.7 mm -77.49 -32.42 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 120.399 2.099 . . . . 0.0 112.57 -166.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.12 55.19 0.65 Allowed 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 -169.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.431 -1.412 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 151.084 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -145.45 154.22 42.02 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.578 1.535 . . . . 0.0 110.84 -161.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.91 -70.89 0.76 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.398 1.479 . . . . 0.0 110.603 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m 44.81 -67.44 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 127.212 2.205 . . . . 0.0 110.141 -127.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -65.67 -44.62 85.73 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.206 -157.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -75.54 -9.2 58.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.846 1.658 . . . . 0.0 112.061 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.7 -5.21 29.2 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.59 1.156 . . . . 0.0 111.469 167.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.29 -27.74 20.34 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -164.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.423 ' HB2' ' CD1' ' A' ' 14' ' ' LEU . 84.1 m-85 -81.84 174.69 11.07 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.9 p -77.52 157.75 30.23 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 120.611 -1.306 . . . . 0.0 108.115 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.59 -33.03 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 128.096 2.558 . . . . 0.0 113.673 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -88.4 -29.83 19.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.43 -36.51 60.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 109.565 167.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -56.07 -63.05 1.31 Allowed 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 129.5 3.12 . . . . 0.0 104.815 177.124 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -46.06 85.3 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.784 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.85 -10.57 39.33 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.146 1.339 . . . . 0.0 113.7 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.14 -50.76 4.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.735 1.255 . . . . 0.0 108.061 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -78.52 -20.51 50.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.881 0.872 . . . . 0.0 110.725 -166.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.2 -38.52 85.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.339 1.456 . . . . 0.0 109.596 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.66 -46.14 63.79 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.425 1.012 . . . . 0.0 110.409 -170.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HE2' HD12 ' A' ' 53' ' ' ILE . 2.5 mmmm -54.39 -58.93 5.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -45.81 -45.72 14.99 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 116.922 -1.513 . . . . 0.0 113.543 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -70.44 -49.41 48.98 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 121.921 2.146 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -47.19 -47.34 24.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 110.364 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.63 -58.27 6.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.407 0.548 . . . . 0.0 110.549 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.2 -40.97 71.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.783 0.833 . . . . 0.0 111.788 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.46 -36.21 39.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.799 1.285 . . . . 0.0 108.559 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mp -69.6 -44.19 71.26 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.432 -0.793 . . . . 0.0 109.889 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -63.07 -27.31 69.31 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.509 -1.369 . . . . 0.0 111.794 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.77 -45.46 71.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.252 1.821 . . . . 0.0 110.766 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.21 -40.28 93.94 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 120.61 1.55 . . . . 0.0 107.724 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.33 -54.43 45.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.622 1.169 . . . . 0.0 110.529 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -40.62 81.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.14 1.376 . . . . 0.0 111.593 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -42.88 82.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.462 0.305 . . . . 0.0 111.072 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.47 41.28 0.33 Allowed Glycine 0 N--CA 1.44 -1.033 0 C-N-CA 127.389 2.423 . . . . 0.0 113.33 166.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -119.68 -25.76 5.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.575 1.187 . . . . 0.0 112.843 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -65.1 0.74 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 43.87 178.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.78 1.632 . . . . 0.0 112.263 -158.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 65.98 -53.55 0.39 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.028 2.131 . . . . 0.0 114.644 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p 65.95 -11.9 0.19 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.323 3.449 . . . . 0.0 116.163 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -48.97 -46.28 43.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 119.455 1.025 . . . . 0.0 111.153 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.91 -44.73 76.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.801 -0.619 . . . . 0.0 109.367 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.35 -46.79 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 119.337 0.971 . . . . 0.0 111.097 170.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.52 96.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 120.265 1.393 . . . . 0.0 110.139 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -33.12 74.97 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 121.168 -0.957 . . . . 0.0 108.595 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -65.3 -54.52 27.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.378 0.0 OUTLIER -51.53 -43.29 62.26 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 121.343 1.883 . . . . 0.0 115.297 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -59.22 -37.07 76.59 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.631 1.105 . . . . 0.0 110.324 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.54 -34.31 18.63 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 125.092 1.357 . . . . 0.0 108.471 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.19 -53.63 46.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.06 16.6 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.902 -1.124 . . . . 0.0 112.966 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.73 -58.98 2.33 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.733 1.613 . . . . 0.0 110.658 165.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 6.2 mt -62.18 -56.19 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 126.681 1.992 . . . . 0.0 112.4 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -30.93 68.37 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.013 -1.054 . . . . 0.0 110.75 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -60.19 -52.2 66.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.725 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mm -51.14 -45.91 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.948 1.249 . . . . 0.0 110.077 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -54.65 30.43 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 124.039 0.837 . . . . 0.0 108.89 174.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.5 71.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.64 -43.56 62.67 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.263 1.025 . . . . 0.0 109.115 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -70.79 -34.87 72.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 117.98 -1.009 . . . . 0.0 113.421 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.54 -48.43 74.72 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.484 1.115 . . . . 0.0 108.827 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -30.84 22.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.702 0.683 . . . . 0.0 111.623 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.34 10.26 5.14 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.23 -31.82 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.384 1.592 . . . . 0.0 110.678 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.7 mmt-85 -120.3 31.17 6.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 124.241 1.016 . . . . 0.0 110.588 -164.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 . . . . . 0 N--CA 1.439 -0.984 0 O-C-N 125.216 1.573 . . . . 0.0 107.7 164.416 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 119.893 -0.098 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt 53.88 -169.02 0.06 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 126.22 1.808 . . . . 0.0 112.541 171.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.85 -70.74 0.76 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.897 1.679 . . . . 0.0 109.182 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m 44.47 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 127.424 2.289 . . . . 0.0 110.545 -127.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -50.15 -54.49 20.39 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 127.376 2.271 . . . . 0.0 110.61 -162.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.03 -43.42 67.94 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 125.769 1.628 . . . . 0.0 112.189 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.11 -21.29 61.5 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.345 0.975 . . . . 0.0 111.019 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -10.27 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.613 1.165 . . . . 0.0 113.138 -170.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -77.52 172.89 12.66 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.474 1.034 . . . . 0.0 110.671 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 p -85.77 155.4 21.04 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.676 -1.155 . . . . 0.0 108.03 170.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.47 -33.66 9.79 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 122.002 2.183 . . . . 0.0 113.613 -173.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.75 -45.48 74.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.334 1.021 . . . . 0.0 111.858 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.54 -38.11 77.37 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.423 0.689 . . . . 0.0 110.705 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -61.46 2.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.797 1.639 . . . . 0.0 107.131 -177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -55.4 -42.86 74.64 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.539 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.3 -4.61 14.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 120.423 1.465 . . . . 0.0 113.482 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -53.68 4.58 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 120.158 -1.589 . . . . 0.0 107.946 163.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.93 -25.38 22.11 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.447 -0.783 . . . . 0.0 112.637 -158.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.42 70.97 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.027 2.131 . . . . 0.0 108.813 160.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -56.21 23.87 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 119.491 1.042 . . . . 0.0 110.325 -174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -59.92 -52.28 66.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -45.39 -54.66 6.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.943 1.247 . . . . 0.0 111.794 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -60.62 -50.92 71.59 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.398 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.72 -55.31 9.81 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.474 1.11 . . . . 0.0 109.974 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.12 -49.53 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.752 1.614 . . . . 0.0 111.86 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 ttt -65.85 -31.32 72.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 125.816 1.646 . . . . 0.0 113.094 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -83.22 -36.97 24.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 109.823 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.4 mt -68.81 -46.06 69.62 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.116 1.767 . . . . 0.0 109.292 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.22 -33.26 72.01 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.483 -1.386 . . . . 0.0 110.31 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.46 -30.29 70.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.328 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.53 -41.82 62.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 121.188 1.813 . . . . 0.0 108.458 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.85 -52.93 63.33 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.259 1.024 . . . . 0.0 110.729 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.28 -14.43 55.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.883 0.873 . . . . 0.0 111.833 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.15 -10.15 26.5 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.68 1.127 . . . . 0.0 112.892 168.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.7 36.76 13.01 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 128.169 2.795 . . . . 0.0 111.637 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -119.0 -23.12 6.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.275 1.03 . . . . 0.0 110.52 -168.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.06 140.79 45.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.186 0.994 . . . . 0.0 109.186 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -48.95 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.615 1.166 . . . . 0.0 111.353 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -151.38 140.94 21.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.212 1.405 . . . . 0.0 107.342 -168.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -56.98 -15.8 5.69 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 p -55.44 -34.28 64.32 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.412 1.085 . . . . 0.0 111.726 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.01 -46.33 71.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.328 1.051 . . . . 0.0 109.386 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -44.96 83.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.824 174.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -47.08 77.45 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 121.149 1.795 . . . . 0.0 110.646 -177.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD2' HH11 ' A' ' 48' ' ' ARG . 11.1 mt -66.17 -41.77 89.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 123.564 0.746 . . . . 0.0 109.131 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.7 m -63.74 -49.47 72.89 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -54.21 -43.35 70.69 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 127.078 2.151 . . . . 0.0 112.905 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.46 HH11 ' CD2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -56.39 -37.31 69.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.797 1.18 . . . . 0.0 110.681 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.53 -26.42 17.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.752 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.95 -53.24 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 CA-C-N 120.786 1.63 . . . . 0.0 106.747 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -2.52 11.05 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 118.484 0.584 . . . . 0.0 111.864 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -63.66 1.25 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.209 1.404 . . . . 0.0 111.299 161.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -57.4 -55.34 21.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 120.352 1.433 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -31.79 68.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 120.55 -1.344 . . . . 0.0 110.671 -175.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 m -69.53 -30.45 68.28 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.803 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.89 -46.29 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 122.48 2.4 . . . . 0.0 108.814 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.89 -44.36 96.96 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.038 -0.982 . . . . 0.0 108.993 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -53.94 43.65 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.475 1.034 . . . . 0.0 110.35 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.72 -15.46 53.08 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.681 1.593 . . . . 0.0 111.508 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.1 mtm105 -99.94 -11.09 20.96 Favored 'General case' 0 CA--C 1.525 0.018 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.281 172.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.22 -44.59 83.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 120.681 1.582 . . . . 0.0 106.917 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -15.29 14.7 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.733 1.213 . . . . 0.0 113.408 -175.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.76 64.55 2.32 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.7 mt -93.29 -84.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 127.218 2.207 . . . . 0.0 108.433 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -100.36 14.47 30.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.26 1.024 . . . . 0.0 112.047 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 . . . . . 0 C--O 1.242 0.707 0 C-N-CA 127.299 2.239 . . . . 0.0 110.441 -166.129 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 tpt . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 59.35 -178.08 0.09 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.886 1.674 . . . . 0.0 110.652 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.07 -78.65 0.6 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 172.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.45 -60.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 128.48 2.712 . . . . 0.0 108.401 -157.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.58 -46.86 58.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.15 0.976 . . . . 0.0 110.337 -173.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.68 -11.68 60.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.86 -1.15 . . . . 0.0 113.145 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.21 24.02 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 113.671 166.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -43.15 89.78 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.377 1.071 . . . . 0.0 110.418 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -57.44 157.03 7.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 125.099 1.499 . . . . 0.0 112.528 -161.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.0 p -64.78 161.39 18.16 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.376 -0.827 . . . . 0.0 109.822 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.7 -32.87 6.22 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -88.93 -43.15 11.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.762 1.225 . . . . 0.0 110.92 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.84 -31.72 72.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.712 1.142 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.09 -69.2 0.25 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.083 1.353 . . . . 0.0 107.597 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.09 65.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 116.592 -1.67 . . . . 0.0 109.45 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.79 -4.88 17.73 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.478 1.036 . . . . 0.0 113.287 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 -43.47 5.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 120.755 -1.216 . . . . 0.0 109.328 170.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 1.2 mt -78.97 -32.31 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -168.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -58.36 -43.35 88.32 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.563 1.164 . . . . 0.0 111.4 164.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -67.11 -49.88 63.38 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.767 0.712 . . . . 0.0 109.745 -172.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -54.09 -63.27 1.2 Allowed 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.145 -1.597 . . . . 0.0 107.963 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.32 62.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.946 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.6 -46.45 63.38 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.073 1.761 . . . . 0.0 111.841 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.9 -47.12 60.84 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 126.381 1.872 . . . . 0.0 109.812 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 tp -47.86 -54.69 11.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.96 0.8 . . . . 0.0 111.276 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.78 -22.09 62.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -39.2 18.34 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.588 1.555 . . . . 0.0 108.285 -177.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.53 -50.39 71.56 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 -59.48 -28.17 66.77 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.654 -1.279 . . . . 0.0 112.487 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.92 -25.77 59.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 111.514 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -81.7 -29.54 32.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 119.622 -1.924 . . . . 0.0 106.589 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.96 -51.34 40.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.982 1.313 . . . . 0.0 111.477 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.31 -48.46 18.21 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.478 1.511 . . . . 0.0 109.29 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -26.73 63.54 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 123.79 0.836 . . . . 0.0 112.112 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.2 23.86 10.13 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 126.22 1.867 . . . . 0.0 113.571 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.46 -31.41 7.83 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.701 1.201 . . . . 0.0 109.942 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tp -86.19 114.07 22.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.67 1.588 . . . . 0.0 109.519 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -116.0 57.57 0.75 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.117 1.767 . . . . 0.0 108.957 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.97 76.86 0.65 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 120.989 -1.069 . . . . 0.0 109.719 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.9 p -75.83 -31.7 59.48 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.424 -1.422 . . . . 0.0 112.584 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -65.8 -32.27 73.71 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.261 0.937 . . . . 0.0 110.283 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.68 -42.82 85.91 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -48.76 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 119.665 1.12 . . . . 0.0 108.845 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -44.69 76.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.198 1.399 . . . . 0.0 111.276 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.12 -23.85 62.17 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 121.102 -0.999 . . . . 0.0 108.99 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.251 33.7 m -75.36 -59.01 2.94 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 116.617 -1.658 . . . . 0.0 107.271 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -49.85 -41.56 45.47 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 123.421 2.828 . . . . 0.0 113.691 174.233 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -51.23 -59.8 3.81 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.212 1.005 . . . . 0.0 111.751 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.06 -31.93 61.4 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.059 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.87 -49.9 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 120.412 1.46 . . . . 0.0 107.144 168.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 -5.13 47.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.977 0.808 . . . . 0.0 111.96 -171.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -61.67 1.66 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.256 1.822 . . . . 0.0 111.287 162.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 mp -54.76 -57.16 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 C-N-CA 126.14 1.776 . . . . 0.0 113.252 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -34.3 70.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -64.45 -41.78 96.35 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 114.56 -2.638 . . . . 0.0 111.014 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.66 -46.21 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 123.672 2.942 . . . . 0.0 110.148 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.42 -43.73 93.42 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.971 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -52.24 26.74 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 122.962 0.505 . . . . 0.0 109.86 170.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -49.86 -29.89 8.94 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.94 1.296 . . . . 0.0 114.472 -173.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -0.56 16.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.26 1.824 . . . . 0.0 114.018 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.99 -8.6 59.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 121.551 1.978 . . . . 0.0 109.811 160.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt -131.63 -156.59 0.76 Allowed 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 129.32 3.048 . . . . 0.0 105.729 -163.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.0 39.33 1.92 Allowed Glycine 0 CA--C 1.519 0.338 0 CA-C-O 119.035 -0.869 . . . . 0.0 111.603 167.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.2 mm -61.6 -82.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 124.787 1.235 . . . . 0.0 109.04 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -125.24 72.4 1.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 . . . . . 0 C--O 1.248 1.002 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 166.087 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -143.65 146.64 33.4 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 121.022 1.737 . . . . 0.0 108.454 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.64 -0.12 10.3 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 114.975 -2.44 . . . . 0.0 113.255 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -44.16 -42.9 6.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 122.239 2.29 . . . . 0.0 110.37 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.93 -53.67 9.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.958 1.703 . . . . 0.0 114.454 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 2.7 mp -90.71 -23.81 20.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 128.005 2.522 . . . . 0.0 113.628 -171.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -10.82 47.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.469 -0.776 . . . . 0.0 110.936 172.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -22.5 61.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.806 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -63.58 161.03 15.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 123.758 0.823 . . . . 0.0 109.604 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -72.22 161.2 31.19 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.667 -1.27 . . . . 0.0 109.477 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -19.93 65.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 121.796 2.089 . . . . 0.0 113.783 -170.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.95 -44.74 25.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.765 0.826 . . . . 0.0 112.3 164.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.37 -33.77 76.27 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 119.688 1.131 . . . . 0.0 110.63 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.82 -66.26 0.56 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.505 2.722 . . . . 0.0 106.029 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -53.96 -48.71 70.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 119.226 0.921 . . . . 0.0 109.358 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.35 -2.0 23.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.419 1.009 . . . . 0.0 112.188 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.89 -54.05 3.32 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.822 1.649 . . . . 0.0 107.479 172.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -40.85 71.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.13 -171.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -64.43 -35.33 80.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.874 1.27 . . . . 0.0 110.639 174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.69 -50.02 54.27 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 10.5 mmmt -59.49 -52.93 63.47 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.964 0.906 . . . . 0.0 108.6 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -46.6 -48.23 19.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 115.509 -2.186 . . . . 0.0 112.521 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -67.53 -50.35 59.07 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 121.939 2.154 . . . . 0.0 109.957 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -52.82 10.93 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 125.441 1.496 . . . . 0.0 110.13 -172.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.96 -47.21 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.128 1.331 . . . . 0.0 112.2 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.1 mtt -66.56 -26.85 67.32 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.14 -37.44 14.2 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.264 1.031 . . . . 0.0 109.676 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.82 -51.08 71.26 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 125.47 1.508 . . . . 0.0 109.158 171.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.7 ptt85 -60.31 -28.3 68.0 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.937 -1.102 . . . . 0.0 111.519 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -71.32 -26.89 63.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 111.033 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -73.9 -33.8 64.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.739 1.608 . . . . 0.0 108.651 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.42 -51.59 59.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.073 0.851 . . . . 0.0 110.292 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.33 21.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.306 1.842 . . . . 0.0 110.424 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mmt -81.33 -17.99 47.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.22 30.67 11.95 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 126.288 1.899 . . . . 0.0 112.985 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -121.24 -22.17 6.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.566 0.746 . . . . 0.0 110.101 -167.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.68 120.59 11.49 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 124.635 1.174 . . . . 0.0 110.782 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -71.92 75.94 0.9 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.665 1.586 . . . . 0.0 109.977 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.52 124.09 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.227 3.011 . . . . 0.0 115.182 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.1 p -49.08 -16.97 0.17 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.181 2.592 . . . . 0.0 117.134 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 m -51.65 -38.45 54.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 120.839 1.654 . . . . 0.0 110.731 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.8 -50.43 73.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.015 0.926 . . . . 0.0 109.796 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -49.6 79.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-O 117.256 -1.354 . . . . 0.0 109.888 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -45.67 62.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.968 1.713 . . . . 0.0 110.881 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.73 -13.94 58.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 O-C-N 121.403 -0.811 . . . . 0.0 110.35 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.2 m -87.44 -55.49 3.77 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.758 1.623 . . . . 0.0 106.935 172.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -45.39 -45.78 12.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 128.366 2.666 . . . . 0.0 112.43 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -50.1 -54.14 22.52 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.09 0.859 . . . . 0.0 111.344 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.16 -27.03 56.82 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 126.019 1.728 . . . . 0.0 109.465 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.59 -55.7 17.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 121.905 2.139 . . . . 0.0 106.796 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 0.76 5.63 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.29 -0.881 . . . . 0.0 112.113 -173.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.5 ' HD2' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -99.33 -60.11 1.59 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.603 3.161 . . . . 0.0 110.083 171.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CD1' ' HE2' ' A' ' 21' ' ' LYS . 68.7 mt -64.95 -52.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 127.801 2.44 . . . . 0.0 110.778 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -33.47 69.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.788 -1.195 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.5 m -66.68 -36.43 82.51 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.58 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -51.93 -44.76 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.804 2.093 . . . . 0.0 110.76 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.29 -51.45 69.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.727 0.811 . . . . 0.0 109.906 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -50.31 45.72 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 0.0 110.717 175.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.64 -29.12 70.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.081 1.353 . . . . 0.0 110.071 -173.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -83.47 -20.93 33.11 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 121.315 -0.866 . . . . 0.0 112.884 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.27 -58.68 5.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -13.06 56.94 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.974 0.806 . . . . 0.0 111.61 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.97 51.27 7.08 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.5 mm -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 109.062 152.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -139.47 75.63 1.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 102.742 -3.058 . . . . 0.0 102.742 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 C--O 1.249 1.041 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 157.1 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -155.91 173.7 16.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 119.061 0.846 . . . . 0.0 110.044 162.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.94 -86.1 0.65 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.341 1.456 . . . . 0.0 109.011 172.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.3 m 57.68 -60.34 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 127.563 2.345 . . . . 0.0 110.669 -147.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.3 -52.83 63.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.158 2.183 . . . . 0.0 109.604 -174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.64 -15.12 60.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 119.794 -1.816 . . . . 0.0 113.835 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -7.68 47.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 119.536 1.062 . . . . 0.0 112.283 170.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.24 -10.99 59.97 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.376 1.87 . . . . 0.0 112.906 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -81.15 165.65 21.36 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 p -70.83 152.99 43.15 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -43.58 -29.77 0.52 Allowed 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 128.169 2.588 . . . . 0.0 113.343 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.93 -51.89 9.02 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.866 0.729 . . . . 0.0 111.112 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.0 -35.87 73.96 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 123.083 0.553 . . . . 0.0 111.392 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -69.23 0.13 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -43.64 72.54 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.463 -2.208 . . . . 0.0 109.837 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -64.62 -15.33 61.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 120.304 1.411 . . . . 0.0 112.745 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 -43.87 7.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -30.06 37.83 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.169 -0.957 . . . . 0.0 108.456 -172.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.81 -33.54 68.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.845 -0.597 . . . . 0.0 112.261 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.82 -55.78 13.34 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.277 0.56 . . . . 0.0 110.113 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.66 -53.62 55.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 119.745 -1.847 . . . . 0.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -52.81 -39.11 62.12 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 120.699 1.591 . . . . 0.0 111.943 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -76.03 -40.34 53.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.768 1.622 . . . . 0.0 112.998 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -51.42 -53.07 40.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.563 1.545 . . . . 0.0 107.58 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.5 tp -53.99 -50.57 66.28 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.034 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.9 ttm -55.16 -28.71 54.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -42.13 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.485 1.114 . . . . 0.0 109.762 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.58 -33.62 74.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 O-C-N 120.817 -1.177 . . . . 0.0 107.875 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 ptm85 -64.94 -28.19 69.36 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 120.787 -1.196 . . . . 0.0 111.399 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.53 -32.71 66.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.619 1.168 . . . . 0.0 110.928 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -71.8 -43.66 65.29 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 121.767 2.076 . . . . 0.0 106.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -55.5 -53.35 57.48 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.086 0.954 . . . . 0.0 110.697 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.271 1.029 . . . . 0.0 110.157 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.38 60.37 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.322 1.049 . . . . 0.0 112.53 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.72 6.85 24.55 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 129.699 3.523 . . . . 0.0 114.457 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -103.84 -28.15 11.79 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.014 1.407 . . . . 0.0 110.701 -151.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 119.27 9.2 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.517 1.527 . . . . 0.0 109.422 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 161.21 8.34 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.23 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -24.01 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 1 C-N-CA 132.744 4.418 . . . . 0.0 117.731 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . 0.347 1.5 p 23.61 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.761 3.224 . . . . 0.0 116.542 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.5 m -94.0 -34.82 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.483 -0.761 . . . . 0.0 109.892 163.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.77 -46.38 65.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.779 0.718 . . . . 0.0 110.094 -167.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -46.49 92.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -42.79 92.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.64 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.27 -48.26 80.69 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.751 2.82 . . . . 0.0 108.707 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -57.6 -48.48 79.29 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -52.96 -43.22 66.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.412 1.915 . . . . 0.0 112.098 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -58.94 -40.41 84.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.43 -36.02 24.56 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.888 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -58.11 -57.55 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 120.182 1.356 . . . . 0.0 109.007 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.34 0.09 8.91 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 120.517 -1.364 . . . . 0.0 112.041 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -57.05 2.83 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.717 1.607 . . . . 0.0 110.259 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -66.57 -44.79 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 119.829 -1.794 . . . . 0.0 112.01 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -31.23 70.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 121.402 1.91 . . . . 0.0 109.866 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -60.79 -37.27 81.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.426 -1.273 . . . . 0.0 109.698 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.6 mm -57.75 -41.46 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 120.638 1.563 . . . . 0.0 109.968 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -53.09 61.66 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -53.55 53.17 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 119.019 0.827 . . . . 0.0 112.178 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.61 -42.65 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.919 1.288 . . . . 0.0 109.313 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -66.26 -35.14 79.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.72 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.02 -43.56 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.494 1.118 . . . . 0.0 110.156 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -19.83 24.17 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.124 0.875 . . . . 0.0 113.177 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 4.49 26.8 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.792 1.186 . . . . 0.0 115.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.0 mm -63.52 -19.96 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 126.93 2.092 . . . . 0.0 112.944 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.45 22.87 6.99 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 123.681 0.792 . . . . 0.0 112.689 -164.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 N--CA 1.433 -1.324 0 O-C-N 125.284 1.615 . . . . 0.0 109.602 168.715 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.93 -31.33 1.72 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.7 -90.62 0.57 Allowed 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.611 0.765 . . . . 0.0 109.286 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.9 m 57.96 -13.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 128.609 2.764 . . . . 0.0 116.341 -173.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.21 -46.92 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.768 1.627 . . . . 0.0 107.731 166.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.28 -6.34 57.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -12.07 27.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.138 0.975 . . . . 0.0 112.592 161.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -95.47 -24.23 16.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.173 1.389 . . . . 0.0 113.142 -155.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -57.67 167.15 1.15 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 118.716 0.689 . . . . 0.0 110.853 165.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.82 163.33 28.29 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.617 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.23 -36.44 61.04 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.749 1.159 . . . . 0.0 112.109 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -62.04 -63.14 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.819 1.248 . . . . 0.0 110.984 168.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.06 -14.72 61.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 112.733 -172.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.24 -73.46 0.16 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 166.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.35 66.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 120.115 1.325 . . . . 0.0 111.029 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.13 -10.38 49.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 119.388 0.995 . . . . 0.0 113.38 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -45.96 4.77 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.01 -32.39 71.89 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.5 -35.49 77.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.271 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.96 -48.8 77.33 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.438 0.695 . . . . 0.0 109.379 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -59.36 -57.59 12.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.27 -42.82 31.8 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.399 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -69.24 -50.62 45.47 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.327 1.421 . . . . 0.0 109.864 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.35 -51.58 10.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.286 1.834 . . . . 0.0 110.21 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 tp -53.49 -53.43 51.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.335 0.516 . . . . 0.0 111.509 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.9 mtm -66.26 -22.11 66.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.668 0.787 . . . . 0.0 112.243 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.52 -44.09 9.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.763 2.025 . . . . 0.0 112.866 -174.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.64 -59.34 4.58 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 126.623 1.969 . . . . 0.0 108.534 166.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -59.42 -25.44 64.33 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.081 -1.012 . . . . 0.0 111.93 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -71.18 -30.99 67.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.926 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -78.44 -32.64 48.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 120.294 1.406 . . . . 0.0 108.837 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.65 -56.82 17.27 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.61 -27.9 68.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.249 1.42 . . . . 0.0 112.334 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.27 -9.9 58.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.664 0.786 . . . . 0.0 112.708 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.14 10.12 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 127.345 2.402 . . . . 0.0 109.992 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -130.11 -21.04 3.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.646 1.578 . . . . 0.0 110.537 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.51 131.83 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.735 1.614 . . . . 0.0 108.149 167.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -140.55 54.59 1.6 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.296 1.438 . . . . 0.0 111.529 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -136.5 -72.44 0.45 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.631 0.772 . . . . 0.0 109.265 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m 70.94 -20.16 0.22 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.695 2.798 . . . . 0.0 114.343 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -35.17 79.8 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.232 -1.543 . . . . 0.0 109.859 167.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.68 83.37 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.706 170.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.87 -45.0 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.605 2.002 . . . . 0.0 110.519 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -44.64 61.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 121.469 1.94 . . . . 0.0 111.193 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -80.8 -31.2 35.76 Favored 'General case' 0 N--CA 1.422 -1.871 0 C-N-CA 127.813 2.445 . . . . 0.0 109.822 -172.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.3 m -65.78 -53.08 45.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 167.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -52.54 -45.15 66.22 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 126.915 2.086 . . . . 0.0 112.679 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.05 -42.5 94.63 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.989 1.268 . . . . 0.0 110.21 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -70.98 -39.83 72.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.51 -55.21 25.92 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -8.69 25.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 119.679 1.127 . . . . 0.0 112.399 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -60.72 1.9 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.374 1.869 . . . . 0.0 109.948 167.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -61.73 -54.31 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 127.53 2.332 . . . . 0.0 111.917 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -33.84 72.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 120.262 -1.524 . . . . 0.0 110.642 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -59.12 -51.36 70.36 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 116.237 -1.84 . . . . 0.0 108.175 173.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mm -46.21 -50.23 4.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-N 119.928 1.24 . . . . 0.0 110.253 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.67 -60.52 2.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 122.426 1.108 . . . . 0.0 110.545 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -50.45 61.12 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.635 1.574 . . . . 0.0 112.364 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.86 61.19 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 128.241 2.616 . . . . 0.0 108.163 -172.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -99.9 -21.45 15.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.584 1.154 . . . . 0.0 111.598 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.29 -56.73 17.19 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 166.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -14.58 60.96 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.419 1.009 . . . . 0.0 111.5 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.4 27.73 56.96 Favored Glycine 0 N--CA 1.447 -0.598 0 O-C-N 121.763 -0.586 . . . . 0.0 113.674 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.52 -40.66 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 118.844 1.322 . . . . 0.0 109.175 172.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -116.61 21.01 13.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.437 1.895 . . . . 0.0 111.443 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.247 0.932 0 C-N-CA 126.786 2.035 . . . . 0.0 112.284 -174.124 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptt? . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -152.42 162.99 40.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.418 1.008 . . . . 0.0 109.233 170.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.81 -81.37 0.64 Allowed 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 126.551 1.94 . . . . 0.0 106.138 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 60.89 -52.66 0.1 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 130.196 3.399 . . . . 0.0 110.831 -162.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.64 -52.35 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 124.076 0.95 . . . . 0.0 109.388 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.8 -10.31 59.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.082 -1.636 . . . . 0.0 113.768 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -4.48 24.48 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.873 0.869 . . . . 0.0 113.152 171.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -23.45 37.16 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.598 1.159 . . . . 0.0 113.031 -176.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -64.2 167.58 6.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.663 1.185 . . . . 0.0 111.537 -171.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -77.22 164.14 25.88 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.723 173.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -41.48 67.91 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.883 1.674 . . . . 0.0 111.758 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -43.39 82.7 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 122.841 0.457 . . . . 0.0 111.966 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -67.54 -38.62 84.45 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 119.126 0.876 . . . . 0.0 110.327 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.8 mt -67.21 -14.18 62.67 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 117.137 -1.411 . . . . 0.0 114.039 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.27 -45.67 5.27 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.335 1.854 . . . . 0.0 109.279 164.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.13 -14.35 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.806 1.639 . . . . 0.0 112.301 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.27 -57.34 3.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 123.479 1.609 . . . . 0.0 108.598 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -74.34 -34.35 63.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 112.804 -1.998 . . . . 0.0 111.158 -165.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.56 -30.35 71.08 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.699 1.2 . . . . 0.0 109.488 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -75.97 -52.29 10.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -56.34 -56.35 22.15 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.857 -1.152 . . . . 0.0 108.136 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -47.29 -44.57 23.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 116.462 -1.732 . . . . 0.0 113.332 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -67.46 -54.96 15.69 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 120.987 1.721 . . . . 0.0 109.806 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -45.08 -51.99 9.58 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 126.479 1.912 . . . . 0.0 110.341 -173.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.64 -48.06 66.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.697 1.135 . . . . 0.0 111.925 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ttt -66.5 -28.55 68.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.627 1.171 . . . . 0.0 112.241 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.52 -31.87 17.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.559 1.072 . . . . 0.0 110.451 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.26 -44.01 63.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.682 1.193 . . . . 0.0 108.794 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -56.72 -28.42 60.98 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.302 -1.499 . . . . 0.0 111.695 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -25.06 50.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.05 1.74 . . . . 0.0 110.049 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -77.61 -38.83 47.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.17 -49.52 73.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.929 0.892 . . . . 0.0 110.395 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.29 -14.24 6.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.198 1.799 . . . . 0.0 112.651 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.61 -8.63 18.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.623 1.169 . . . . 0.0 112.966 172.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 48.44 19.64 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 128.75 3.071 . . . . 0.0 110.206 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -121.55 -37.69 2.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.444 1.098 . . . . 0.0 109.836 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.97 -41.84 99.66 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.709 0.804 . . . . 0.0 111.434 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 tttp 55.09 86.32 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.514 1.526 . . . . 0.0 111.76 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 96.56 159.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 131.014 3.726 . . . . 0.0 111.75 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.4 p -121.09 3.36 10.44 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -57.04 -38.56 73.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 120.112 1.324 . . . . 0.0 110.04 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.09 73.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.643 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -41.79 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 120.959 1.709 . . . . 0.0 110.287 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -58.47 -45.21 89.1 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.755 1.161 . . . . 0.0 110.275 175.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.09 -28.55 66.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 120.416 -1.427 . . . . 0.0 110.415 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 m -70.92 -55.72 7.78 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -46.91 -48.3 21.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 127.783 2.433 . . . . 0.0 112.389 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 11.2 ptt85 -60.42 -45.64 92.87 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.618 1.099 . . . . 0.0 109.876 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -39.29 74.82 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.23 -53.37 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.19 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.706 0.685 . . . . 0.0 112.36 -172.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -62.26 1.5 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 109.369 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 mp -50.99 -59.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.9 1.68 . . . . 0.0 113.369 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -21.61 60.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 120.293 -1.505 . . . . 0.0 112.295 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -83.09 -29.8 28.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.429 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -50.15 -45.41 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 122.526 2.421 . . . . 0.0 110.765 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.76 -46.63 74.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -47.71 63.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.684 1.129 . . . . 0.0 111.7 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.0 -32.52 64.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.795 1.238 . . . . 0.0 111.29 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.55 -34.39 60.73 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.394 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -55.49 -46.97 76.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.206 1.002 . . . . 0.0 109.181 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.3 0.22 50.53 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.68 30.43 64.02 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.198 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.42 -18.27 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.509 1.524 . . . . 0.0 110.943 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -132.91 68.62 1.5 Allowed 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 . . . . . 0 C--O 1.251 1.16 0 N-CA-C 104.622 -2.362 . . . . 0.0 104.622 158.011 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtp . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -86.22 160.72 19.1 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.826 0.851 . . . . 0.0 110.519 -173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.12 -86.23 0.65 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.96 1.304 . . . . 0.0 108.28 164.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 m 62.55 -57.14 0.14 Allowed 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 129.207 3.003 . . . . 0.0 109.661 -154.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' H ' ' A' ' 6' ' ' LEU . 5.3 pt-20 -56.07 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 128.254 2.621 . . . . 0.0 110.497 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' H ' ' CG ' ' A' ' 5' ' ' GLU . 12.5 mt -78.92 -16.65 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 126.148 1.779 . . . . 0.0 112.217 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.32 54.59 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.922 0.489 . . . . 0.0 110.413 169.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.02 -4.3 40.5 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.733 -167.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . 0.345 63.0 m-85 -77.21 161.13 28.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 120.555 1.525 . . . . 0.0 108.453 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.4 p -80.03 150.41 30.38 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -36.27 -45.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 129.04 2.936 . . . . 0.0 110.261 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.12 -37.13 75.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.04 -44.18 69.73 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.498 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.74 -60.36 2.96 Favored 'General case' 0 C--N 1.342 0.249 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -58.34 6.52 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.69 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.56 -15.22 57.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -170.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -96.49 -51.7 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.33 -29.23 57.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.712 0.805 . . . . 0.0 109.063 -169.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.06 -29.33 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.404 1.082 . . . . 0.0 111.748 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -70.13 -51.7 29.44 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.151 0.98 . . . . 0.0 109.535 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -53.89 -61.48 2.28 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 173.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -47.46 -44.98 25.5 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.475 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -64.17 -55.4 22.07 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 120.258 1.39 . . . . 0.0 110.569 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.86 -49.64 19.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.72 1.208 . . . . 0.0 110.573 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.09 -52.67 41.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.179 1.354 . . . . 0.0 111.582 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.7 tpt -65.0 -25.25 67.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.481 1.112 . . . . 0.0 112.236 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.29 -40.0 12.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.215 1.007 . . . . 0.0 109.761 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.88 -41.46 97.73 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.149 -1.594 . . . . 0.0 109.277 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -61.61 -31.58 71.66 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.705 -1.247 . . . . 0.0 110.237 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.0 -32.66 73.21 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.358 -1.306 . . . . 0.0 111.088 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -74.03 -39.72 63.37 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 121.742 2.065 . . . . 0.0 107.52 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.11 -51.1 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.559 0.744 . . . . 0.0 110.277 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.36 -23.14 66.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.265 1.026 . . . . 0.0 111.839 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -81.52 -18.37 45.27 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 120.039 1.29 . . . . 0.0 112.386 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.33 42.83 4.8 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.181 1.848 . . . . 0.0 111.121 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -129.61 -29.73 2.14 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.144 1.472 . . . . 0.0 112.113 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 119.21 5.87 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.1 1.36 . . . . 0.0 110.609 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -55.23 -59.62 4.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.891 0.768 . . . . 0.0 112.019 -176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.4 122.53 11.46 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.719 0.69 . . . . 0.0 111.428 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.7 p -64.5 -12.99 49.91 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.05 -22.5 65.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.861 1.664 . . . . 0.0 111.597 171.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.7 -57.25 12.69 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 116.643 -1.646 . . . . 0.0 108.437 160.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -43.27 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 121.826 2.103 . . . . 0.0 110.763 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.479 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.24 -50.56 70.95 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.494 1.043 . . . . 0.0 110.008 176.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.74 -38.11 89.87 Favored 'General case' 0 N--CA 1.415 -2.202 0 C-N-CA 126.419 1.888 . . . . 0.0 108.286 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -65.16 -52.33 55.7 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -51.06 -44.16 61.1 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.881 2.073 . . . . 0.0 113.034 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HD2' ' HE2' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -58.46 -49.45 77.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.784 1.174 . . . . 0.0 108.02 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.54 -42.86 82.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.32 -53.16 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.116 0 CA-C-N 120.101 1.319 . . . . 0.0 108.187 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -13.97 62.64 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.772 -174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -61.5 1.79 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.08 1.752 . . . . 0.0 109.104 172.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 mp -55.27 -56.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 127.043 2.137 . . . . 0.0 111.746 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.43 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 120.348 -1.47 . . . . 0.0 110.832 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -40.32 82.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 116.389 -1.767 . . . . 0.0 110.591 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.25 -49.1 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 122.09 2.223 . . . . 0.0 109.586 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.08 -54.26 45.38 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -47.45 30.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.675 1.19 . . . . 0.0 111.388 176.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.25 -13.35 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.915 1.286 . . . . 0.0 112.666 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -96.1 -19.97 19.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.691 1.196 . . . . 0.0 112.145 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.05 -67.06 0.46 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.64 169.28 17.85 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.1 23.63 1.39 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.865 -0.964 . . . . 0.0 114.104 -173.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -63.17 -24.3 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 119.918 1.859 . . . . 0.0 110.566 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -134.29 14.47 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.191 1.396 . . . . 0.0 112.384 174.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 127.384 2.274 . . . . 0.0 113.549 -169.309 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 3' ' ' ALA . 30.4 ttmt -151.01 171.67 16.92 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.661 -0.649 . . . . 0.0 109.762 170.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' H ' ' HG2' ' A' ' 2' ' ' LYS . . . -81.69 3.82 24.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 130.249 3.42 . . . . 0.0 111.595 168.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.31 0.63 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.577 1.535 . . . . 0.0 112.805 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.5 -44.99 16.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.651 2.38 . . . . 0.0 113.976 171.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.96 -37.22 29.77 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 126.229 1.811 . . . . 0.0 111.234 -171.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -11.77 53.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.619 1.099 . . . . 0.0 110.847 174.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.04 0.64 56.51 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.668 1.587 . . . . 0.0 113.269 -162.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . 0.432 29.3 m-85 -76.62 179.5 5.95 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 119.852 1.206 . . . . 0.0 110.849 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -86.59 147.0 26.12 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.769 2.077 . . . . 0.0 107.36 165.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -47.84 -31.39 4.96 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 122.891 2.587 . . . . 0.0 111.823 -177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -68.53 -47.86 65.82 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 113.58 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.82 -43.1 99.52 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.242 0.928 . . . . 0.0 110.486 170.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.37 -57.24 12.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -173.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.33 83.09 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.303 -1.332 . . . . 0.0 110.291 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -15.05 62.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 121.261 1.846 . . . . 0.0 112.626 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.33 -57.32 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 128.492 2.717 . . . . 0.0 106.723 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -38.01 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -37.59 86.63 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.233 172.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -67.04 -50.27 62.53 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.646 1.179 . . . . 0.0 109.491 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -63.9 -54.08 40.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.698 -1.594 . . . . 0.0 106.698 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -45.95 -51.83 12.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.358 -1.306 . . . . 0.0 112.39 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.29 -52.16 59.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.316 1.416 . . . . 0.0 109.939 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -47.74 -50.4 25.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.267 1.027 . . . . 0.0 109.73 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.78 -50.51 55.86 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.174 1.352 . . . . 0.0 111.989 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mmt -62.27 -27.86 69.31 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -94.21 -25.67 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.511 1.148 . . . . 0.0 111.096 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.0 -45.1 67.99 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.437 1.495 . . . . 0.0 109.151 168.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -61.56 -26.29 67.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.354 -1.466 . . . . 0.0 111.39 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.55 -46.17 89.58 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.988 0.915 . . . . 0.0 110.409 169.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.22 -40.53 90.35 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.529 1.513 . . . . 0.0 108.038 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.3 -54.04 51.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.091 0.956 . . . . 0.0 110.329 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.7 69.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.815 0.846 . . . . 0.0 112.285 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 mtt -67.7 -41.45 83.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.62 0.646 . . . . 0.0 110.857 167.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 43.88 0.57 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 125.813 1.673 . . . . 0.0 112.438 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -124.07 -26.04 4.09 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.769 1.284 . . . . 0.0 111.313 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.83 94.39 2.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.094 -1.004 . . . . 0.0 111.634 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -38.8 105.81 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.068 1.747 . . . . 0.0 111.732 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 t30 40.76 33.69 0.22 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.723 2.809 . . . . 0.0 114.814 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p 47.56 21.18 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -170.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -57.15 -41.92 80.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 120.738 -1.226 . . . . 0.0 111.581 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -47.83 29.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.881 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.37 -45.0 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.28 46.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.754 1.161 . . . . 0.0 111.201 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -13.04 61.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.559 1.144 . . . . 0.0 111.395 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.1 m -93.49 -52.91 4.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -49.63 -41.41 42.34 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.198 1.799 . . . . 0.0 112.32 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -51.75 -57.3 9.66 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.703 0.627 . . . . 0.0 110.77 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.22 -29.06 66.92 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.199 1.8 . . . . 0.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.0 -53.54 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.972 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.96 -9.87 48.86 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.762 1.164 . . . . 0.0 112.439 -173.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . 0.28 0.4 OUTLIER -85.56 -63.13 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 130.902 3.681 . . . . 0.0 109.39 173.378 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.98 -51.15 57.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 127.898 2.479 . . . . 0.0 109.954 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.08 69.42 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 120.136 -1.603 . . . . 0.0 109.669 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.5 m -67.89 -33.28 74.42 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 116.76 -1.59 . . . . 0.0 111.276 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.0 -37.0 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 122.065 2.211 . . . . 0.0 111.254 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.12 -59.36 4.87 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 168.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -48.19 70.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.772 0.829 . . . . 0.0 112.289 -176.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.09 -14.65 4.09 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.45 2.3 . . . . 0.0 111.486 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -104.6 -16.81 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 120.097 -1.627 . . . . 0.0 112.905 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -62.74 -46.85 86.14 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.904 0.774 . . . . 0.0 109.012 170.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -21.19 27.69 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.862 -1.149 . . . . 0.0 112.612 175.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.05 58.91 3.83 Favored Glycine 0 CA--C 1.521 0.447 0 O-C-N 120.648 -1.282 . . . . 0.0 111.732 -168.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mm -86.44 -14.87 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.586 1.954 . . . . 0.0 110.021 157.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -133.24 55.06 1.92 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.17 -1.582 . . . . 0.0 107.001 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.437 1.495 . . . . 0.0 107.855 171.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtp . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 119.011 -0.519 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 mttm 62.97 130.12 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.679 2.392 . . . . 0.0 113.81 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.49 -82.1 0.65 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.311 1.445 . . . . 0.0 109.509 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.74 -21.59 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.999 3.72 . . . . 0.0 116.184 -159.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.85 -58.99 2.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 120.099 1.318 . . . . 0.0 108.15 162.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.96 -2.86 49.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -164.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -8.66 25.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 118.946 -2.346 . . . . 0.0 111.296 169.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.49 -32.71 42.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.647 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' HB2' ' CD1' ' A' ' 14' ' ' LEU 0.341 83.4 m-85 -82.3 176.96 9.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.246 -169.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.0 p -80.56 146.22 31.38 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.38 -32.21 0.07 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 128.422 2.689 . . . . 0.0 111.982 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.98 -50.51 19.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.609 3.164 . . . . 0.0 115.393 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.953 -1.092 . . . . 0.0 110.782 168.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.53 -60.62 3.1 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -42.93 62.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 120.326 1.421 . . . . 0.0 109.837 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -71.72 -2.09 16.2 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.59 -40.38 5.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.282 2.233 . . . . 0.0 110.073 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.7 OUTLIER -82.62 -32.19 28.47 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.624 -1.297 . . . . 0.0 109.117 -167.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.92 80.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.03 1.332 . . . . 0.0 109.801 164.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.99 -51.04 66.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.899 1.28 . . . . 0.0 109.646 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -58.19 -56.3 23.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 119.749 -1.844 . . . . 0.0 108.161 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -55.61 -34.77 65.18 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.839 -1.163 . . . . 0.0 112.126 -174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -73.32 -51.36 17.78 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 120.962 1.71 . . . . 0.0 110.98 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.96 -44.24 40.56 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.021 1.728 . . . . 0.0 111.118 -174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD13 ' HE3' ' A' ' 47' ' ' LYS . 19.9 tp -51.63 -54.31 29.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.469 1.031 . . . . 0.0 110.955 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.4 mtt -65.64 -23.97 66.93 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.41 -40.54 13.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.137 1.375 . . . . 0.0 108.853 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.63 -51.62 61.69 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -56.65 -33.86 66.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.929 -1.107 . . . . 0.0 111.641 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.47 -28.99 69.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.071 1.348 . . . . 0.0 110.752 175.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -78.24 -30.13 48.52 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.26 -1.525 . . . . 0.0 109.127 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.39 -52.88 50.51 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 119.954 1.252 . . . . 0.0 110.211 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.35 -43.38 16.02 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.703 1.601 . . . . 0.0 109.566 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -16.26 54.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.63 30.58 9.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 127.177 2.322 . . . . 0.0 112.731 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -121.35 -20.85 6.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.884 0.874 . . . . 0.0 110.071 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.84 124.13 19.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.875 1.67 . . . . 0.0 110.695 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -101.39 84.99 2.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.286 1.035 . . . . 0.0 111.184 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 91.09 112.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 128.981 2.913 . . . . 0.0 111.151 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.8 p -71.59 -7.86 50.37 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.2 m -60.2 -24.17 64.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.631 1.105 . . . . 0.0 111.907 174.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.96 -49.08 16.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -43.32 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 120.68 1.582 . . . . 0.0 110.789 -173.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -33.01 74.79 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.37 1.068 . . . . 0.0 112.491 -173.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . 0.255 1.9 tp -71.61 -42.38 67.75 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 128.945 2.898 . . . . 0.0 107.135 169.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m -54.78 -54.97 35.13 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 119.834 1.197 . . . . 0.0 109.248 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' HE3' HD13 ' A' ' 25' ' ' LEU 0.349 0.0 OUTLIER -52.05 -42.11 62.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 119.436 -2.04 . . . . 0.0 115.74 175.716 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -48.95 78.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.482 1.492 . . . . 0.0 108.78 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.97 -41.79 61.43 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 117.26 -1.353 . . . . 0.0 107.869 -173.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -46.46 -50.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-N 120.521 1.51 . . . . 0.0 108.739 168.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.73 85.13 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -59.68 4.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.365 0.984 . . . . 0.0 112.159 173.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.4 mp -48.6 -64.11 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.504 0 C-N-CA 127.349 2.26 . . . . 0.0 111.919 172.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -29.64 70.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.761 -1.212 . . . . 0.0 109.532 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -64.28 -39.83 94.72 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 116.267 -1.825 . . . . 0.0 110.498 170.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mm -51.83 -48.43 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 122.887 2.585 . . . . 0.0 109.847 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -55.94 -57.42 12.18 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -57.48 4.09 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.547 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -39.24 43.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.748 1.619 . . . . 0.0 109.651 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -80.15 -11.99 59.7 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.0 1.32 . . . . 0.0 114.534 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.14 -48.92 71.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.11 -36.32 14.06 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.574 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.57 25.27 3.19 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 119.129 0.877 . . . . 0.0 115.038 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.07 -19.76 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 124.824 1.25 . . . . 0.0 111.226 171.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -130.57 83.13 2.1 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 103.514 -2.773 . . . . 0.0 103.514 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 . . . . . 0 C--O 1.251 1.134 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 157.056 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.961 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 tptt 65.21 -62.98 0.2 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.962 2.505 . . . . 0.0 111.592 -169.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.84 -71.74 0.72 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.634 1.974 . . . . 0.0 107.156 173.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t 58.8 -70.19 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.758 2.423 . . . . 0.0 107.812 -148.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.75 -48.41 79.31 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 126.688 1.995 . . . . 0.0 109.741 -164.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.22 -14.35 55.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 119.936 -1.728 . . . . 0.0 113.127 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -9.2 58.7 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.543 1.137 . . . . 0.0 109.985 167.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -87.99 -19.04 27.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 118.455 -0.783 . . . . 0.0 113.045 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 98.5 m-85 -68.76 163.75 23.35 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 124.164 0.986 . . . . 0.0 109.797 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 44.3 p -82.02 167.59 18.69 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 110.845 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -50.42 -41.29 52.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.634 1.106 . . . . 0.0 111.506 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.66 -46.17 55.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.03 1.332 . . . . 0.0 113.091 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 10' ' ' THR . 2.1 mm-40 -66.5 -38.37 87.1 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.049 -1.032 . . . . 0.0 110.484 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 9' ' ' TYR . 19.5 mt -56.31 -66.2 0.47 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.066 2.147 . . . . 0.0 107.122 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -49.93 -51.17 43.1 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.997 1.272 . . . . 0.0 109.677 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -68.19 -11.12 58.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -46.89 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.105 1.762 . . . . 0.0 108.498 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -78.76 -35.69 44.16 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.865 0.866 . . . . 0.0 110.127 -170.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -37.21 73.95 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.85 1.26 . . . . 0.0 109.059 169.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.31 -51.82 58.11 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 123.916 0.886 . . . . 0.0 109.174 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -54.96 -58.98 5.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.25 -1.531 . . . . 0.0 107.91 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -50.37 13.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 116.456 -1.735 . . . . 0.0 112.375 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.92 -57.68 9.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 117.101 -1.428 . . . . 0.0 109.09 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -46.28 -43.95 16.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 126.171 1.788 . . . . 0.0 111.717 -170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -54.08 -54.57 37.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.993 1.27 . . . . 0.0 110.884 175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.7 mtp -62.58 -17.4 60.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.276 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -18.8 13.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.518 1.127 . . . . 0.0 111.195 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.34 -51.78 12.37 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.916 1.686 . . . . 0.0 107.076 167.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -57.52 -30.56 65.25 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.876 -0.515 . . . . 0.0 110.672 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.43 -39.1 93.58 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.469 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.72 -25.34 49.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 119.985 1.266 . . . . 0.0 107.651 -176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.58 -53.57 22.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.209 0.913 . . . . 0.0 109.411 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -36.33 38.72 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -23.87 52.14 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.696 0.798 . . . . 0.0 112.455 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.16 48.7 3.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 127.211 2.339 . . . . 0.0 110.388 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.51 -54.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.274 1.029 . . . . 0.0 108.771 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.73 116.26 3.94 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 170.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -122.12 39.55 3.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.318 1.047 . . . . 0.0 109.536 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -143.45 101.05 3.72 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 120.815 -1.178 . . . . 0.0 110.302 153.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -62.31 -25.14 67.71 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.479 -0.763 . . . . 0.0 112.653 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -78.36 -18.48 55.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.349 -0.844 . . . . 0.0 112.65 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.11 -51.38 61.65 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 162.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -46.41 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.46 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -47.96 70.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 120.238 1.381 . . . . 0.0 111.954 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.04 -29.23 62.83 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -67.12 -52.04 46.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -52.34 -45.3 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 119.889 -1.757 . . . . 0.0 113.875 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -57.37 -47.77 80.77 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.686 1.195 . . . . 0.0 107.969 -174.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -48.18 85.45 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 O-C-N 120.521 -1.362 . . . . 0.0 107.748 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.86 95.08 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-O 117.25 -1.357 . . . . 0.0 109.234 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -61.68 2.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 120.132 1.333 . . . . 0.0 113.441 175.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.9 mt -53.77 -59.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 127.601 2.36 . . . . 0.0 111.801 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.13 71.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.368 -1.458 . . . . 0.0 109.784 -175.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -62.34 -39.37 92.86 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.435 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -52.36 -49.26 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 121.844 2.111 . . . . 0.0 109.728 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tp -55.04 -55.87 26.09 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -50.96 29.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.49 1.116 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.96 -18.26 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 126.451 1.9 . . . . 0.0 111.602 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -85.11 -32.04 23.01 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.582 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.352 1.461 . . . . 0.0 108.923 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -10.62 59.12 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.251 0.932 . . . . 0.0 112.25 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.14 62.82 5.07 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 124.205 0.907 . . . . 0.0 111.936 -169.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mm -83.41 -26.29 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.8 1.24 . . . . 0.0 110.945 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.17 60.84 1.45 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.4 1.48 . . . . 0.0 108.143 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.536 -1.221 . . . . 0.0 110.457 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -68.13 158.94 32.01 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.711 -0.618 . . . . 0.0 109.78 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.82 -76.19 0.58 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.083 2.153 . . . . 0.0 107.626 171.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -41.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.926 2.49 . . . . 0.0 112.491 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 4.4 pt-20 -79.44 -55.94 4.68 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 123.123 1.44 . . . . 0.0 108.098 171.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.49 ' H ' ' HG3' ' A' ' 5' ' ' GLU . 15.1 mt -80.3 -14.12 58.64 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 120.619 -1.301 . . . . 0.0 114.126 -165.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.37 0.16 53.23 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.939 0.896 . . . . 0.0 110.919 165.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -74.68 -32.38 62.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.394 0.997 . . . . 0.0 111.9 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -54.43 151.46 7.67 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 124.106 0.879 . . . . 0.0 110.146 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -69.3 164.3 23.13 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.561 0.619 . . . . 0.0 110.567 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -53.0 -34.36 55.95 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.964 1.256 . . . . 0.0 111.734 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.55 -40.03 36.05 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -64.4 -49.45 71.51 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.639 1.109 . . . . 0.0 109.822 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.1 mt -48.59 -66.84 0.33 Allowed 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 128.147 2.579 . . . . 0.0 107.304 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -50.09 50.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -65.23 -16.96 64.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 112.952 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.64 -36.66 10.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.153 1.781 . . . . 0.0 109.666 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -35.24 18.7 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.955 -1.091 . . . . 0.0 108.244 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -34.15 68.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.743 -1.122 . . . . 0.0 109.867 168.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -63.27 -53.96 44.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.81 1.644 . . . . 0.0 110.736 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 1.2 mmmm -57.28 -57.21 13.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.22 -2.175 . . . . 0.0 107.42 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -47.75 -44.66 28.3 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 117.772 -1.109 . . . . 0.0 112.809 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -72.24 -46.23 56.92 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.881 1.219 . . . . 0.0 111.319 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -51.46 -47.87 62.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.482 1.513 . . . . 0.0 108.606 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.55 -53.92 52.69 Favored 'General case' 0 C--N 1.333 -0.127 0 O-C-N 120.971 -1.081 . . . . 0.0 110.888 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.2 ttp -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 124.632 1.173 . . . . 0.0 113.113 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -94.35 -30.5 14.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.717 0.77 . . . . 0.0 110.768 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.77 -43.53 75.56 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -61.09 -29.59 69.84 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.821 -1.174 . . . . 0.0 111.026 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.7 -37.95 79.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.656 1.183 . . . . 0.0 111.05 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.7 -42.72 63.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.68 -46.24 90.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.041 0.936 . . . . 0.0 110.154 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.66 -27.42 69.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.237 1.015 . . . . 0.0 112.399 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.9 mmt -85.55 -7.69 58.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.232 1.013 . . . . 0.0 111.829 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.15 33.71 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 125.292 1.425 . . . . 0.0 110.485 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -115.95 -35.5 4.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.53 132.19 48.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.753 -174.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -53.52 -48.96 68.54 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.514 1.526 . . . . 0.0 114.494 -172.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -149.96 145.32 26.39 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.027 1.285 . . . . 0.0 111.538 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 p -62.03 -31.15 71.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.626 1.571 . . . . 0.0 113.573 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -60.54 -28.34 68.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.48 -0.762 . . . . 0.0 111.229 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.69 -46.53 87.71 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -56.12 16.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 120.572 1.533 . . . . 0.0 108.104 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -43.46 46.05 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.707 1.594 . . . . 0.0 112.41 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.97 -46.57 67.78 Favored 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 128.556 2.742 . . . . 0.0 109.246 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -67.55 -48.4 67.06 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.387 0.0 OUTLIER -63.81 -29.33 70.54 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.473 2.309 . . . . 0.0 114.713 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptt85 -57.29 -46.04 83.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 170.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.427 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.13 -40.81 64.6 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.126 1.77 . . . . 0.0 107.223 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.73 -55.46 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.247 0 CA-C-N 121.191 1.814 . . . . 0.0 107.241 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.76 -0.24 17.57 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.454 -171.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -65.45 1.01 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.241 1.416 . . . . 0.0 111.379 160.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.86 -60.46 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 128.262 2.625 . . . . 0.0 111.96 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -33.44 61.93 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.53 -0.731 . . . . 0.0 109.944 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 m -74.69 -28.34 60.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.434 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.2 -45.45 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 122.425 2.375 . . . . 0.0 110.419 172.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tp -58.84 -53.43 58.51 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.856 0.722 . . . . 0.0 109.059 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -52.62 16.94 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.378 1.071 . . . . 0.0 111.038 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.72 -22.45 65.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.943 1.697 . . . . 0.0 111.598 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -86.79 -19.74 28.6 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.338 -1.315 . . . . 0.0 112.864 172.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.18 -57.21 9.11 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -30.19 63.36 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.11 63.65 1.37 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -169.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.24 -29.44 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 129.419 3.088 . . . . 0.0 109.532 167.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.68 11.55 35.86 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -172.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.104 -1.427 . . . . 0.0 111.334 -141.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.3 mttt 63.37 -179.89 0.15 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.02 0.928 . . . . 0.0 113.487 149.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . -122.99 -80.41 0.63 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 121.219 -0.926 . . . . 0.0 112.721 164.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m 41.47 -15.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.665 3.186 . . . . 0.0 118.681 -144.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 3' ' ' ALA . 15.6 pt-20 -101.08 -57.3 2.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 170.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.08 -15.15 61.07 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.167 -1.583 . . . . 0.0 113.737 -169.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -17.99 25.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 120.976 1.716 . . . . 0.0 111.11 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -80.85 -23.15 39.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.826 -166.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.43 162.23 8.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 118.289 0.495 . . . . 0.0 111.626 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -74.21 162.73 28.64 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.397 -0.815 . . . . 0.0 110.117 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.85 40.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.867 1.212 . . . . 0.0 112.98 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.24 -47.61 10.62 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.307 0.643 . . . . 0.0 111.836 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.31 -40.86 83.15 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 mt -51.41 -68.98 0.12 Allowed 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 127.575 2.35 . . . . 0.0 108.463 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.42 64.78 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 117.325 -1.322 . . . . 0.0 109.687 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -72.62 -2.32 19.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.855 1.207 . . . . 0.0 112.409 -174.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -54.75 3.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 164.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -22.75 40.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.921 -0.487 . . . . 0.0 110.685 -159.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.69 -51.69 46.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 111.281 158.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -54.12 50.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.532 1.06 . . . . 0.0 111.038 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -57.44 -57.42 12.76 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 45.5 pttt -52.54 -41.74 63.79 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.909 1.686 . . . . 0.0 111.675 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -66.1 -50.26 64.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 121.208 1.822 . . . . 0.0 110.592 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -48.03 -47.39 33.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.777 1.631 . . . . 0.0 111.028 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -54.2 -50.32 67.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.024 -1.048 . . . . 0.0 111.921 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtp -72.54 -20.46 61.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.714 1.206 . . . . 0.0 112.538 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.93 -38.75 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.636 1.974 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.99 -39.93 79.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 120.305 -1.497 . . . . 0.0 108.651 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -62.96 -22.95 67.17 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.908 -1.745 . . . . 0.0 112.279 172.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -73.21 -43.35 61.44 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.4 0.68 . . . . 0.0 109.679 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.39 -34.19 75.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 119.973 1.26 . . . . 0.0 109.244 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.88 -54.88 27.89 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 119.764 1.165 . . . . 0.0 110.796 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.75 -36.28 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 113.938 -1.483 . . . . 0.0 110.104 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.4 mmt -86.5 -11.17 52.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.159 0.984 . . . . 0.0 113.099 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.73 45.24 9.55 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 126.399 1.952 . . . . 0.0 110.547 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -127.17 -21.6 3.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.592 1.557 . . . . 0.0 109.911 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -75.47 113.55 13.0 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 113.385 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 80.26 1.79 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.311 1.044 . . . . 0.0 111.639 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 69.46 119.22 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.88 2.872 . . . . 0.0 115.573 171.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.0 m -65.95 -4.54 7.21 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.045 2.538 . . . . 0.0 115.821 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -35.96 69.72 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 121.346 1.885 . . . . 0.0 110.788 164.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.46 -38.83 88.22 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.199 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -55.3 16.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.726 1.148 . . . . 0.0 109.212 172.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -45.21 65.03 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 120.204 1.366 . . . . 0.0 110.863 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.01 -12.62 60.17 Favored 'General case' 0 N--CA 1.433 -1.279 0 O-C-N 121.635 -0.666 . . . . 0.0 109.925 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.2 m -87.98 -51.34 5.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.418 1.487 . . . . 0.0 108.419 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.414 0.0 OUTLIER -54.45 -33.39 59.46 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 122.476 2.398 . . . . 0.0 115.033 174.037 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -52.23 -45.98 65.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.24 0.927 . . . . 0.0 109.895 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.63 -44.02 21.76 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 126.342 1.857 . . . . 0.0 107.284 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.96 -49.97 77.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -4.01 32.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.478 1.035 . . . . 0.0 112.869 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -64.95 1.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.097 1.359 . . . . 0.0 110.64 164.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.2 mp -56.51 -57.45 9.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 126.098 1.759 . . . . 0.0 110.325 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -36.22 70.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.844 0.747 . . . . 0.0 109.89 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -63.91 -37.13 86.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 116.829 -1.558 . . . . 0.0 111.124 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -56.56 -44.7 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.754 2.07 . . . . 0.0 111.438 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -55.54 32.69 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -53.53 24.7 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 125.674 1.59 . . . . 0.0 112.153 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.75 -49.15 29.17 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.269 2.228 . . . . 0.0 109.029 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.36 -17.37 62.43 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.365 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.15 -52.5 27.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.176 1.353 . . . . 0.0 107.779 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -9.42 46.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.628 1.104 . . . . 0.0 112.212 -175.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 44.51 43.33 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mt -83.33 144.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 103.622 -2.732 . . . . 0.0 103.622 154.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 145.02 121.31 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.747 1 C-N-CA 136.02 5.728 . . . . 0.0 103.69 174.457 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.247 0.939 0 O-C-N 124.129 0.893 . . . . 0.0 109.844 160.245 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 172.55 0.42 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.45 -0.781 . . . . 0.0 111.697 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.4 2.09 10.21 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.549 -1.691 . . . . 0.0 114.323 171.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.0 m -51.33 -27.08 8.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 122.136 2.243 . . . . 0.0 113.642 -166.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.16 -70.3 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.279 2.632 . . . . 0.0 112.475 161.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.64 -39.4 93.75 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 119.736 -1.852 . . . . 0.0 113.794 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -8.04 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.76 1.224 . . . . 0.0 111.658 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -16.65 53.96 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.42 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' LEU 0.274 31.7 m-85 -64.94 153.32 40.82 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 119.473 1.033 . . . . 0.0 109.3 -177.6 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.18 162.12 29.91 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.665 -0.647 . . . . 0.0 109.295 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -25.58 25.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.694 1.133 . . . . 0.0 112.133 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -48.85 11.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.038 1.735 . . . . 0.0 111.868 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.39 -40.65 97.81 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 118.977 0.808 . . . . 0.0 110.44 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 9' ' ' TYR . 31.3 mt -53.73 -64.52 0.8 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 126.599 1.96 . . . . 0.0 106.901 -176.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -44.58 72.54 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.305 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -72.31 -2.54 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.684 1.129 . . . . 0.0 112.96 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.5 -50.59 2.94 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 127.838 2.455 . . . . 0.0 108.161 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.67 -31.36 63.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.49 -0.756 . . . . 0.0 109.391 -178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.35 -30.66 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.929 168.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.58 -56.04 8.44 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.441 1.096 . . . . 0.0 110.41 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -53.43 -59.98 3.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -45.62 -47.07 14.79 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 116.401 -1.761 . . . . 0.0 112.787 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -67.33 -54.47 20.34 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 116.414 -1.755 . . . . 0.0 108.634 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -44.54 -41.75 6.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 121.068 1.758 . . . . 0.0 111.548 -173.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.47 -55.48 28.52 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.564 -1.335 . . . . 0.0 112.18 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.6 mmm -68.31 -21.37 64.77 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.52 -42.38 9.74 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 124.588 1.155 . . . . 0.0 108.362 -172.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -67.86 -40.56 83.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.326 -1.484 . . . . 0.0 108.544 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -58.79 -27.75 65.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.325 -1.485 . . . . 0.0 111.529 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -79.4 -27.62 41.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.495 1.118 . . . . 0.0 110.935 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.43 -32.83 70.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 121.751 2.069 . . . . 0.0 106.995 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 tp -70.44 -43.88 69.0 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 118.537 0.608 . . . . 0.0 110.802 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.21 68.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.435 0.694 . . . . 0.0 110.732 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -50.39 20.6 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 109.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 40.29 0.58 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.168 1.365 . . . . 0.0 111.482 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 -25.04 2.73 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.724 1.21 . . . . 0.0 110.706 -168.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -52.41 148.15 7.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.563 1.145 . . . . 0.0 112.715 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -118.03 126.12 51.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.116 1.367 . . . . 0.0 107.745 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m120 47.0 98.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 130.082 3.353 . . . . 0.0 113.174 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.5 p -56.77 -21.06 25.68 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.819 -1.176 . . . . 0.0 112.215 172.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 m -53.86 -30.34 45.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.664 1.186 . . . . 0.0 111.883 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -43.01 39.46 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.912 1.285 . . . . 0.0 110.796 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -43.26 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.876 1.216 . . . . 0.0 110.499 171.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -55.67 13.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 127.174 2.19 . . . . 0.0 112.274 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.57 -37.91 79.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 126.094 1.757 . . . . 0.0 109.043 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -67.44 -46.54 72.81 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.304 0.0 OUTLIER -60.42 -33.52 72.64 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 118.883 -2.386 . . . . 0.0 115.187 175.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -62.45 -47.1 85.53 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.7 -35.27 52.28 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.121 0.888 . . . . 0.0 110.054 -170.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.58 -50.82 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 169.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.74 37.08 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.101 -1.039 . . . . 0.0 112.72 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -65.16 1.05 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.871 2.068 . . . . 0.0 108.745 167.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -58.05 -54.31 33.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 O-C-N 121.186 -0.946 . . . . 0.0 111.911 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.668 1.576 . . . . 0.0 110.28 -176.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 m -62.14 -39.41 92.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.487 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.74 -39.9 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.251 1.841 . . . . 0.0 109.954 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.99 -49.65 76.1 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.27 98.17 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.027 0.931 . . . . 0.0 110.241 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.68 -26.54 56.81 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.548 1.539 . . . . 0.0 112.621 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mtp-105 -94.9 -16.78 22.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.627 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -68.91 -63.83 0.99 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.46 58.36 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.531 1.514 . . . . 0.0 113.062 -172.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.51 68.84 1.48 Allowed Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -168.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.15 -24.8 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.492 1.117 . . . . 0.0 110.163 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -138.2 14.34 2.82 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 125.471 1.508 . . . . 0.0 111.494 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 163.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.199 -0.296 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? 57.76 172.23 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.329 1.451 . . . . 0.0 111.528 -160.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.04 1.07 51.72 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 125.433 1.493 . . . . 0.0 111.343 173.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -40.14 -31.68 0.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 120.311 1.414 . . . . 0.0 112.985 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.99 -28.16 39.52 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.89 -43.1 5.91 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 125.053 1.341 . . . . 0.0 110.598 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -11.31 43.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.827 0.739 . . . . 0.0 110.61 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -9.67 58.76 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 116.438 -1.744 . . . . 0.0 113.178 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -84.98 168.98 14.46 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 49.9 p -95.7 155.91 16.55 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-O 116.021 -1.943 . . . . 0.0 107.084 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -33.64 -44.39 0.15 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 129.353 3.061 . . . . 0.0 112.06 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.77 -47.96 23.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.761 -1.108 . . . . 0.0 113.729 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB2' ' H ' ' A' ' 10' ' ' THR . 13.3 mt-10 -64.7 -31.8 73.18 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.08 172.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -65.55 0.61 Allowed 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -41.85 76.03 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 120.536 1.517 . . . . 0.0 110.599 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.8 -7.62 35.79 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.56 -43.78 5.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 127.512 2.325 . . . . 0.0 107.602 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.7 -25.74 30.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 120.881 -1.137 . . . . 0.0 109.961 -168.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -41.57 95.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.638 162.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -69.63 -45.82 67.63 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.261 1.024 . . . . 0.0 110.548 -173.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.79 -58.17 9.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -45.92 49.23 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.164 1.802 . . . . 0.0 112.113 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -66.83 -44.91 79.85 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 116.816 -1.564 . . . . 0.0 111.729 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -48.8 -49.89 36.82 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 119.97 1.259 . . . . 0.0 108.69 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.66 -53.46 30.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.632 0.651 . . . . 0.0 111.251 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttt -57.73 -32.21 67.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.818 1.647 . . . . 0.0 114.4 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.57 -40.66 10.66 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.204 1.001 . . . . 0.0 110.723 -172.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.49 -46.97 87.28 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.343 1.057 . . . . 0.0 109.504 170.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.14 -22.62 64.86 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.634 -1.291 . . . . 0.0 112.313 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.76 -31.7 52.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.674 1.19 . . . . 0.0 110.202 173.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -74.96 -33.75 61.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 121.413 1.915 . . . . 0.0 107.059 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.71 -54.72 43.75 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 124.182 0.993 . . . . 0.0 111.058 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.62 -36.24 69.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.916 0.886 . . . . 0.0 110.498 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.5 mmt -75.26 -12.33 60.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.367 1.067 . . . . 0.0 112.496 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.3 13.5 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 127.854 2.645 . . . . 0.0 111.431 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.73 -23.53 8.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.678 1.239 . . . . 0.0 111.57 -165.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tt -82.62 115.58 21.64 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.837 1.255 . . . . 0.0 111.741 172.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -24.78 -77.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -172.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -160.3 44.1 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.132 0.573 . . . . 0.0 110.437 -167.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.6 p 53.09 -8.82 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 128.482 2.713 . . . . 0.0 117.62 -175.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -57.02 -42.3 80.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 120.742 1.61 . . . . 0.0 110.385 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.96 0.904 . . . . 0.0 109.348 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.7 84.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 119.27 0.941 . . . . 0.0 110.749 173.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -44.05 86.81 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 120.499 1.499 . . . . 0.0 109.295 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.55 -17.47 62.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.83 1.652 . . . . 0.0 112.917 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -83.47 -54.79 4.7 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -49.46 -42.9 44.42 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.188 2.195 . . . . 0.0 112.911 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.92 70.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 119.304 0.956 . . . . 0.0 111.268 176.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -38.15 48.13 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.91 -41.52 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 120.901 1.682 . . . . 0.0 108.915 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.2 80.25 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.605 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -59.98 4.35 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.043 1.292 . . . . 0.0 111.919 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.53 -54.43 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 124.933 1.293 . . . . 0.0 111.269 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -35.0 78.24 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.975 -1.703 . . . . 0.0 109.257 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -56.52 -44.68 81.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 116.622 -1.656 . . . . 0.0 110.047 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -50.59 -55.59 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 116.518 -1.706 . . . . 0.0 107.547 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.31 -49.06 73.13 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 119.645 1.111 . . . . 0.0 108.997 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -47.26 74.27 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.316 0.962 . . . . 0.0 111.489 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.57 -38.99 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.084 0.954 . . . . 0.0 110.93 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -70.67 -26.57 63.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.224 1.01 . . . . 0.0 112.031 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.94 -52.47 49.48 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -20.8 46.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.37 0.986 . . . . 0.0 112.471 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.79 18.36 54.65 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.038 -0.868 . . . . 0.0 113.52 -173.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -55.0 -36.89 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.784 1.634 . . . . 0.0 111.433 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -97.45 21.33 10.32 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.635 1.174 . . . . 0.0 111.39 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 . . . . . 0 C--O 1.255 1.358 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -158.306 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.413 0.149 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.35 137.25 54.78 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.072 0.858 . . . . 0.0 109.215 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -80.46 1.55 28.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.168 0.918 . . . . 0.0 109.215 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 9.7 p -40.43 -27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.062 0.851 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 7.7 pt-20 -89.38 -41.3 12.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' CD2' HG13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -72.12 -49.64 34.4 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.655 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -76.1 -0.08 20.64 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.485 177.772 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 4' ' ' SER . 1.4 t30 -75.52 -4.75 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 109.582 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.637 ' HB2' HD12 ' A' ' 14' ' ' LEU . 70.3 m-85 -104.27 167.4 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 111.58 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 p -85.23 148.8 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER -38.17 -50.52 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.838 0.711 . . . . 0.0 109.382 -179.563 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -59.45 -44.31 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.255 0.972 . . . . 0.0 110.651 179.357 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.33 -43.36 77.69 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.106 0.879 . . . . 0.0 110.457 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 1.546 ' CD1' HD11 ' A' ' 14' ' ' LEU . 1.7 mm? -42.74 -67.25 0.29 Allowed 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.044 0.84 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -53.57 -41.93 67.04 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.999 0.812 . . . . 0.0 109.168 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.4 -5.58 19.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.162 0.914 . . . . 0.0 109.36 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -108.84 -36.92 6.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -83.37 -42.4 17.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.06 0.85 . . . . 0.0 108.952 -179.1 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.71 -28.95 36.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.196 0.935 . . . . 0.0 110.193 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -80.11 -32.2 39.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.248 0.968 . . . . 0.0 109.766 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 26.8 mmmt -76.15 -56.13 4.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -57.68 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.296 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -59.41 -45.03 92.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.35 1.031 . . . . 0.0 110.118 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.463 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -44.51 -58.51 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.052 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 tm? -47.93 -50.96 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.942 0.776 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 tpt -64.96 -24.91 67.66 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.589 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -84.56 -33.86 23.36 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.987 0.804 . . . . 0.0 109.852 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 46' ' ' THR . 0.2 OUTLIER -71.24 -50.11 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -58.17 -28.58 64.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.22 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.1 -29.36 66.3 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -72.88 -51.01 20.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.19 0.931 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.33 -51.98 64.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.06 0.85 . . . . 0.0 109.646 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.81 -31.89 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.789 1.306 . . . . 0.0 109.526 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.108 0.88 . . . . 0.0 111.191 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.91 45.05 1.14 Allowed Glycine 0 C--O 1.223 -0.575 0 O-C-N 124.229 0.955 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -121.97 -38.29 2.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.064 0.508 . . . . 0.0 110.13 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.72 166.51 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.097 0.873 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -123.64 79.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.053 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.03 121.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.272 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' ILE . 44.8 p -54.79 -28.16 47.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.222 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -39.86 -35.94 0.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.68 -53.32 49.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.718 1.261 . . . . 0.0 109.299 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -50.0 -61.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.02 0.825 . . . . 0.0 109.199 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -44.7 -38.84 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.078 0.861 . . . . 0.0 109.182 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.35 -39.97 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.166 0.916 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 28' ' ' LEU . 1.5 m -70.2 -36.84 74.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 123.784 0.678 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 42.6 tptt -63.43 -55.22 26.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.02 0.825 . . . . 0.0 108.971 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 4.3 ptm180 -44.56 -33.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 2.1 m-20 -87.99 -34.31 18.09 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.612 1.195 . . . . 0.0 108.852 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -66.21 -48.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.4 70.71 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.68 -50.78 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.514 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 6' ' ' LEU . 1.4 mp -67.18 -51.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.83 -17.27 22.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 123.849 0.718 . . . . 0.0 109.359 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -42.33 18.14 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.291 0.994 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.454 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 2.2 mm -47.14 -49.14 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.35 1.031 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . 3.6 tp -56.33 -52.37 64.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.357 1.035 . . . . 0.0 109.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -36.55 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.82 0.7 . . . . 0.0 110.334 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.11 -36.93 83.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.295 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -95.5 0.35 53.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.452 ' CB ' HD13 ' A' ' 62' ' ' LEU . 4.9 mt-10 -74.72 -50.56 17.04 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.221 0.951 . . . . 0.0 109.51 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -89.64 -60.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 108.732 -178.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.32 42.82 0.02 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.9 mm -88.04 -14.54 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -138.28 34.66 2.3 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.941 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 . . . . . 0 N--CA 1.444 -0.752 0 O-C-N 124.593 1.183 . . . . 0.0 110.437 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m 49.47 -70.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 127.73 2.412 . . . . 0.0 109.406 -141.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.86 -51.1 71.01 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.135 1.374 . . . . 0.0 109.178 -166.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.42 -13.71 62.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.24 -12.16 18.2 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 119.812 1.187 . . . . 0.0 112.923 165.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -84.46 -23.84 29.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.27 1.428 . . . . 0.0 112.171 -170.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.7 m-85 -58.41 162.55 3.63 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 118.924 0.784 . . . . 0.0 110.249 171.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 p -80.58 163.68 23.49 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.4 -0.813 . . . . 0.0 109.668 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 m-20 -57.05 -26.9 61.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.476 1.489 . . . . 0.0 112.76 -172.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.65 -39.4 31.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.732 2.013 . . . . 0.0 112.429 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.9 -46.64 65.0 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.005 -1.059 . . . . 0.0 110.757 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' ASP . 33.1 mt -53.85 -57.89 9.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.937 1.695 . . . . 0.0 108.347 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -50.61 59.95 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.221 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.36 -11.79 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.53 -46.68 4.68 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.071 0.939 . . . . 0.0 108.874 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -75.1 -31.26 61.11 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.222 -173.229 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -57.0 -42.41 80.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.154 0.909 . . . . 0.0 109.893 165.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.49 -48.51 74.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.166 0.987 . . . . 0.0 109.804 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.5 mmmt -55.88 -62.12 1.91 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 125.546 1.539 . . . . 0.0 108.255 171.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -47.61 -50.23 24.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 116.593 -1.67 . . . . 0.0 112.463 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -60.14 -55.78 29.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.162 1.347 . . . . 0.0 109.567 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.38 -49.55 13.0 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 126.359 1.863 . . . . 0.0 111.083 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.9 tm? -56.14 -50.57 70.74 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.8 mtt -64.72 -28.55 69.67 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.759 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -84.75 -35.83 22.17 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.673 1.124 . . . . 0.0 109.091 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.02 -49.26 70.87 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.06 0.944 . . . . 0.0 109.093 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -57.04 -36.67 70.76 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.016 -1.052 . . . . 0.0 111.115 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.87 -26.67 67.75 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.254 1.021 . . . . 0.0 111.374 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -81.06 -36.0 31.06 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 120.895 1.68 . . . . 0.0 108.091 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.6 -53.45 34.26 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.719 1.207 . . . . 0.0 109.754 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.36 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.509 1.924 . . . . 0.0 111.942 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp -82.55 -74.59 0.34 Allowed 'General case' 0 N--CA 1.432 -1.349 0 C-N-CA 123.07 0.548 . . . . 0.0 111.46 161.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.33 49.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.486 0 C-N-CA 124.956 1.265 . . . . 0.0 111.957 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -120.73 -60.1 1.69 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.146 1.778 . . . . 0.0 108.664 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 38' ' ' LYS . 14.3 tp -62.75 144.59 56.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.174 0.99 . . . . 0.0 109.07 171.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.502 ' H ' HD12 ' A' ' 37' ' ' LEU . 55.8 tttt -141.5 -24.62 0.71 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -86.73 101.59 13.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.589 1.086 . . . . 0.0 109.955 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.2 p -81.93 -21.49 37.25 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 120.892 -1.13 . . . . 0.0 113.337 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 m -60.4 -38.92 85.5 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 119.224 0.92 . . . . 0.0 109.303 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.07 -49.68 74.97 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.35 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 119.675 1.125 . . . . 0.0 110.306 173.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.9 85.21 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.332 1.053 . . . . 0.0 112.943 -170.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.52 -43.68 89.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.641 2.376 . . . . 0.0 109.674 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 50' ' ' ILE . 45.2 m -61.9 -42.43 99.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HD3' HD21 ' A' ' 25' ' ' LEU . 5.3 mmmm -54.56 -42.62 71.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 121.392 1.906 . . . . 0.0 114.063 173.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -45.91 90.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -174.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -82.53 -33.77 28.09 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.576 -173.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.465 HD13 HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -52.97 -50.06 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.293 0 O-C-N 119.891 -1.755 . . . . 0.0 107.776 166.761 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.01 73.33 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.089 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -55.72 -57.64 11.16 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 120.555 1.525 . . . . 0.0 113.145 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.507 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.1 mt -54.03 -55.85 12.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.449 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.64 67.22 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.153 -1.592 . . . . 0.0 110.406 -176.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -62.76 -47.76 82.11 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.336 164.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mm -51.63 -49.85 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 120.887 1.676 . . . . 0.0 108.191 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -54.22 -53.07 58.6 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.175 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -56.23 11.12 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.302 0.956 . . . . 0.0 110.668 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.01 -40.03 63.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.277 1.431 . . . . 0.0 109.589 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -70.51 -29.33 65.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.544 0.737 . . . . 0.0 112.009 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -62.35 -55.48 27.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.051 0.94 . . . . 0.0 109.336 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -23.33 50.95 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.168 1.349 . . . . 0.0 113.811 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.78 2.95 14.19 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.717 -1.046 . . . . 0.0 113.818 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 N--CA 1.449 -0.508 0 CA-C-N 120.276 2.038 . . . . 0.0 110.433 -178.781 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 115.72 -2.086 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 m -46.21 -39.62 10.07 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 122.074 2.215 . . . . 0.0 110.892 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.35 -60.72 2.88 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.713 1.605 . . . . 0.0 112.947 172.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.68 -47.03 61.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 125.547 1.539 . . . . 0.0 109.637 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.78 63.33 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.888 0.875 . . . . 0.0 111.247 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -19.74 60.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 118.224 -0.893 . . . . 0.0 112.644 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.268 38.5 m-85 -65.86 161.22 21.57 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 119.616 1.098 . . . . 0.0 109.405 -178.66 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.63 160.59 25.02 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.19 -35.63 60.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.66 1.573 . . . . 0.0 112.272 -171.282 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.09 -51.28 40.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.549 1.54 . . . . 0.0 112.197 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.37 -37.9 89.05 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.075 -1.015 . . . . 0.0 111.868 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 11' ' ' ASP . 32.4 mt -53.48 -65.61 0.53 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.464 1.505 . . . . 0.0 107.367 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -41.96 79.98 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 116.911 -1.518 . . . . 0.0 111.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -65.11 -15.4 62.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 120.367 1.44 . . . . 0.0 113.163 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.39 -43.49 5.92 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.582 HD22 HG23 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -77.97 -28.98 49.55 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -172.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -59.81 -36.38 76.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.904 164.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.0 -51.5 61.32 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.772 0.715 . . . . 0.0 110.789 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE2' HD13 ' A' ' 53' ' ' ILE . 25.4 mmmt -56.77 -56.95 15.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 120.547 -1.346 . . . . 0.0 107.512 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -48.21 -42.73 30.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 115.964 -1.97 . . . . 0.0 113.76 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -70.3 -50.36 40.16 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.836 2.107 . . . . 0.0 110.044 173.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -45.98 -44.93 15.39 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 126.87 2.068 . . . . 0.0 111.046 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.47 -54.88 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.001 -1.062 . . . . 0.0 111.752 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 53.1 mtt -65.7 -26.89 67.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.229 0.612 . . . . 0.0 112.368 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.56 -36.52 22.07 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.115 2.166 . . . . 0.0 111.077 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.59 -51.81 13.52 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -54.71 -31.87 58.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.473 0.578 . . . . 0.0 110.645 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -67.59 -36.27 80.56 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.404 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -77.9 -20.94 52.0 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 121.709 2.05 . . . . 0.0 108.491 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.93 -55.72 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.351 1.06 . . . . 0.0 110.429 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.44 20.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.632 1.973 . . . . 0.0 111.649 176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -75.8 0.19 Allowed 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 124.036 0.934 . . . . 0.0 109.425 165.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.3 31.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 114.731 0.653 . . . . 0.0 114.731 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -112.95 -37.01 4.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.538 2.735 . . . . 0.0 109.498 -164.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.68 123.88 22.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.039 1.736 . . . . 0.0 109.81 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -70.59 -36.26 73.47 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -166.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -155.84 162.46 40.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.453 1.479 . . . . 0.0 111.252 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -102.8 -13.14 17.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -63.36 -31.4 72.54 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 120.113 1.324 . . . . 0.0 110.534 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.94 -56.32 20.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.95 -44.58 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.631 0.772 . . . . 0.0 110.856 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -43.11 95.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.144 0.978 . . . . 0.0 112.441 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -30.49 70.06 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.884 1.674 . . . . 0.0 107.658 174.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HD13 ' A' ' 50' ' ' ILE . 3.4 m -66.29 -54.46 24.5 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.68 -1.263 . . . . 0.0 108.509 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.426 0.0 OUTLIER -57.42 -23.64 50.71 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.357 1.89 . . . . 0.0 114.98 176.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -70.38 -48.58 55.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.606 1.548 . . . . 0.0 107.899 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.54 77.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.653 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.93 -50.91 76.3 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 119.755 1.161 . . . . 0.0 107.952 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.67 -4.75 32.99 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 119.077 0.853 . . . . 0.0 112.457 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -64.47 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.217 1.407 . . . . 0.0 108.903 165.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.582 HG23 HD22 ' A' ' 18' ' ' LEU . 2.0 mp -54.01 -54.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 125.403 1.481 . . . . 0.0 112.061 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -23.06 67.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 119.193 0.906 . . . . 0.0 111.248 -175.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -76.2 -43.25 43.26 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.584 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mm -46.35 -49.32 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.716 1.598 . . . . 0.0 111.467 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -52.57 -59.4 4.49 Favored 'General case' 0 C--O 1.223 -0.313 0 O-C-N 124.426 1.079 . . . . 0.0 108.424 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -50.0 59.49 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.252 1.421 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.22 -37.96 56.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.844 1.258 . . . . 0.0 111.911 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -69.8 -35.28 74.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.31 -55.18 36.83 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 125.524 1.765 . . . . 0.0 108.986 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -54.61 12.31 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.035 0.38 . . . . 0.0 111.3 -174.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.11 -3.75 0.58 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 -161.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm . . . . . 0 C--O 1.236 0.387 0 CA-C-N 119.381 1.59 . . . . 0.0 110.628 -171.423 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 m 62.82 -60.82 0.13 Allowed 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 127.386 2.274 . . . . 0.0 110.248 -147.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.92 -46.69 42.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.921 1.343 . . . . 0.0 109.847 -166.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 28.6 mt -81.16 -9.99 59.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.624 1.169 . . . . 0.0 111.962 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -3.64 39.77 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.33 -1.481 . . . . 0.0 110.639 165.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.2 -37.84 23.09 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 117.115 -1.421 . . . . 0.0 110.518 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.871 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.336 14.1 m-85 -73.25 172.13 11.73 Favored 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 124.086 0.866 . . . . 0.0 110.42 -174.563 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' HD22 ' A' ' 14' ' ' LEU . 68.7 p -84.55 150.89 24.92 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -38.32 -38.34 0.35 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.207 1.803 . . . . 0.0 110.303 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.9 -41.38 91.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.06 1.744 . . . . 0.0 113.835 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.74 -39.58 35.8 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.35 1.86 . . . . 0.0 111.019 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.871 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -53.92 -66.59 0.37 Allowed 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 125.467 1.507 . . . . 0.0 107.831 173.573 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -45.85 29.5 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.783 1.628 . . . . 0.0 111.119 -174.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -68.19 -14.87 63.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.0 -44.72 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.527 1.531 . . . . 0.0 108.829 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.73 -32.59 57.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -171.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.51 -36.76 71.97 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.209 0.943 . . . . 0.0 110.294 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.49 -51.01 65.18 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 122.983 0.513 . . . . 0.0 109.766 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.6 mmmt -59.23 -56.87 16.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -46.94 -47.57 21.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 116.848 -1.548 . . . . 0.0 111.811 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -66.08 -53.33 39.59 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 119.436 1.017 . . . . 0.0 111.122 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.02 -41.6 59.91 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 119.833 1.197 . . . . 0.0 111.402 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 tp -53.57 -52.64 59.09 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.081 1.31 . . . . 0.0 110.836 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.4 mtp -65.88 -24.85 66.95 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.764 0.825 . . . . 0.0 113.086 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.24 -40.32 10.5 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.816 -1.177 . . . . 0.0 109.418 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.61 -38.61 91.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 119.915 -1.74 . . . . 0.0 109.786 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm85 -65.35 -23.69 67.06 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.251 -0.906 . . . . 0.0 111.274 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -73.79 -36.97 65.08 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.274 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -76.01 -34.22 59.7 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 121.297 1.862 . . . . 0.0 107.125 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.4 tm? -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.777 1.631 . . . . 0.0 111.129 172.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.09 69.45 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.636 1.174 . . . . 0.0 111.318 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -74.11 -26.31 60.27 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.756 0.822 . . . . 0.0 111.679 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.36 19.0 8.65 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 126.409 1.957 . . . . 0.0 114.235 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -111.8 -28.35 8.11 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 119.535 1.668 . . . . 0.0 111.985 -163.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 84.94 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.89 2.076 . . . . 0.0 111.24 172.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -84.33 -2.66 57.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.451 -165.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -127.59 96.61 4.59 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 120.256 1.389 . . . . 0.0 109.7 166.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -61.87 -20.65 63.94 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 m -62.72 -29.66 70.84 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 119.727 1.148 . . . . 0.0 111.889 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.52 -46.69 87.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.178 0.899 . . . . 0.0 108.817 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.63 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 118.613 0.642 . . . . 0.0 109.433 173.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -40.72 70.52 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.317 1.047 . . . . 0.0 112.252 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.76 -32.91 70.22 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.596 1.558 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 HD13 ' A' ' 50' ' ' ILE . 85.3 m -72.41 -49.16 35.78 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.002 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER -56.85 -29.12 62.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 122.445 2.384 . . . . 0.0 115.45 174.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -65.58 -39.56 91.75 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.28 -33.51 16.1 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.557 -1.211 . . . . 0.0 108.952 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -54.83 -53.99 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -25.06 65.73 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 117.811 -1.555 . . . . 0.0 111.069 -169.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -58.69 3.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.711 1.204 . . . . 0.0 111.165 170.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.421 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.1 mt -57.1 -58.48 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 C-N-CA 126.256 1.823 . . . . 0.0 110.836 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -30.97 67.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.832 0.742 . . . . 0.0 110.507 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.8 m -67.45 -34.96 78.27 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.68 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mm -54.29 -49.53 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 122.15 2.25 . . . . 0.0 109.569 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.46 -56.19 14.64 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -47.33 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.005 0.922 . . . . 0.0 111.696 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.74 -38.45 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.339 0.656 . . . . 0.0 110.751 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' HB3' HH11 ' A' ' 60' ' ' ARG . 0.0 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.487 0.715 . . . . 0.0 111.182 176.619 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.111 0.965 . . . . 0.0 110.739 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.19 -11.67 37.64 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.992 0.815 . . . . 0.0 112.027 178.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.34 43.99 18.6 Favored Glycine 0 N--CA 1.451 -0.32 0 O-C-N 121.387 -0.821 . . . . 0.0 112.951 -170.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm . . . . . 0 N--CA 1.441 -0.898 0 C-N-CA 125.061 1.345 . . . . 0.0 109.485 163.622 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m 32.82 -71.11 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 127.82 2.448 . . . . 0.0 110.077 -124.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 125.751 1.62 . . . . 0.0 111.596 -157.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 56' ' ' ILE . 7.2 mp -76.12 -1.74 27.58 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.455 -1.403 . . . . 0.0 113.256 176.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -108.78 -9.76 15.19 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 118.919 -2.363 . . . . 0.0 110.582 164.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -81.48 -32.84 32.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 117.503 -1.237 . . . . 0.0 111.193 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.897 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.292 96.5 m-85 -65.32 174.16 2.24 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 120.199 1.363 . . . . 0.0 111.535 -176.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 p -78.2 147.88 34.27 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 160.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.26 -33.11 1.47 Allowed 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.666 1.986 . . . . 0.0 112.713 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.92 -47.77 61.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.268 1.427 . . . . 0.0 113.749 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -66.86 -32.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.762 1.225 . . . . 0.0 111.342 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.3 mm? -60.77 -65.95 0.61 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -42.91 72.97 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 120.595 1.543 . . . . 0.0 110.45 -173.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -67.89 -6.0 19.59 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -109.32 -44.66 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.134 1.374 . . . . 0.0 108.562 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -73.81 -32.86 63.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.212 0.605 . . . . 0.0 109.675 -175.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.9 -36.43 67.66 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.317 0.647 . . . . 0.0 110.137 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.28 -41.21 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.107 0.479 . . . . 0.0 110.322 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 53' ' ' ILE . 27.3 mmmt -60.42 -62.8 1.6 Allowed 'General case' 0 N--CA 1.443 -0.825 0 O-C-N 120.113 -1.617 . . . . 0.0 108.302 172.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -40.12 57.46 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.507 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -69.83 -50.35 43.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.511 1.505 . . . . 0.0 111.081 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.55 -40.42 51.86 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 125.194 1.397 . . . . 0.0 109.462 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.23 -47.85 69.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 120.985 -1.072 . . . . 0.0 112.848 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.3 mtt -66.42 -4.86 9.1 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.842 172.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -35.31 7.11 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.396 0.617 . . . . 0.0 111.125 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.82 -36.52 80.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 119.347 -2.096 . . . . 0.0 108.351 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -59.04 -33.78 71.17 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.275 -1.516 . . . . 0.0 111.81 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -35.87 73.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.936 1.294 . . . . 0.0 110.726 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.68 -41.74 75.04 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 120.433 1.47 . . . . 0.0 107.881 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.1 tm? -61.56 -53.05 61.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.241 0.616 . . . . 0.0 109.833 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -14.77 35.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.522 1.129 . . . . 0.0 112.806 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -40.55 12.55 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.473 1.109 . . . . 0.0 111.265 168.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.97 26.87 1.31 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 127.938 2.685 . . . . 0.0 113.564 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -118.83 -20.25 8.27 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.941 1.37 . . . . 0.0 111.936 -160.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 109.78 0.75 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.475 1.51 . . . . 0.0 114.061 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -58.44 85.5 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.421 2.288 . . . . 0.0 112.832 166.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 m120 61.54 123.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.803 2.841 . . . . 0.0 112.495 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -9.99 12.46 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 119.553 -1.967 . . . . 0.0 113.705 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -49.63 -39.5 36.12 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 120.897 -1.127 . . . . 0.0 111.986 162.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -48.75 80.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.777 1.231 . . . . 0.0 109.127 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -53.91 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 171.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -43.66 84.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.745 1.157 . . . . 0.0 112.386 -174.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.43 -34.08 75.35 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 125.795 1.638 . . . . 0.0 109.168 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.518 HG22 HD13 ' A' ' 50' ' ' ILE . 93.3 m -74.37 -42.89 58.55 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.21 -47.29 65.72 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.034 -1.666 . . . . 0.0 111.894 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -56.63 -37.2 70.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 110.349 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.88 -31.78 18.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.135 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.63 -54.02 40.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 107.586 174.568 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.41 65.04 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.458 -170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -60.76 2.25 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.076 1.75 . . . . 0.0 109.623 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.565 HD13 ' HG3' ' A' ' 21' ' ' LYS . 28.5 mt -60.45 -52.4 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.557 1.543 . . . . 0.0 112.042 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.68 67.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.895 0.77 . . . . 0.0 110.271 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -62.96 -44.54 95.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 117.092 -1.432 . . . . 0.0 110.822 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 6' ' ' LEU . 1.8 mm -49.69 -47.52 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.628 1.558 . . . . 0.0 111.149 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -54.6 -53.91 48.35 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -48.76 63.82 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.96 -1.088 . . . . 0.0 112.463 174.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.51 -31.42 66.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.048 0.939 . . . . 0.0 111.493 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -69.25 -34.17 74.37 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.482 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.37 -61.3 2.31 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 118.522 -0.752 . . . . 0.0 109.543 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.7 176.74 7.43 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.03 17.06 1.4 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.127 -1.608 . . . . 0.0 116.545 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.7 mm . . . . . 0 N--CA 1.448 -0.526 0 CA-C-N 120.399 2.099 . . . . 0.0 112.57 -166.593 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 120.992 0.425 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m 44.81 -67.44 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 127.212 2.205 . . . . 0.0 110.141 -127.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -65.67 -44.62 85.73 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.206 -157.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 HG13 ' A' ' 56' ' ' ILE . 2.2 mp -75.54 -9.2 58.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.846 1.658 . . . . 0.0 112.061 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.7 -5.21 29.2 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.59 1.156 . . . . 0.0 111.469 167.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.29 -27.74 20.34 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -164.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.654 ' HB2' HD13 ' A' ' 14' ' ' LEU . 84.1 m-85 -81.84 174.69 11.07 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' HD22 ' A' ' 14' ' ' LEU . 31.9 p -77.52 157.75 30.23 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 120.611 -1.306 . . . . 0.0 108.115 170.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.59 -33.03 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 128.096 2.558 . . . . 0.0 113.673 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -88.4 -29.83 19.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.43 -36.51 60.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 109.565 167.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -56.07 -63.05 1.31 Allowed 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 129.5 3.12 . . . . 0.0 104.815 177.124 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -46.06 85.3 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.784 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.85 -10.57 39.33 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.146 1.339 . . . . 0.0 113.7 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.14 -50.76 4.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.735 1.255 . . . . 0.0 108.061 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -78.52 -20.51 50.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.881 0.872 . . . . 0.0 110.725 -166.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.2 -38.52 85.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.339 1.456 . . . . 0.0 109.596 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.66 -46.14 63.79 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.425 1.012 . . . . 0.0 110.409 -170.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.67 ' HG3' HD13 ' A' ' 53' ' ' ILE . 2.5 mmmm -54.39 -58.93 5.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -45.81 -45.72 14.99 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 116.922 -1.513 . . . . 0.0 113.543 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -70.44 -49.41 48.98 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 121.921 2.146 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -47.19 -47.34 24.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 110.364 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 47' ' ' LYS . 9.2 tp -50.63 -58.27 6.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.407 0.548 . . . . 0.0 110.549 176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.2 -40.97 71.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.783 0.833 . . . . 0.0 111.788 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.46 -36.21 39.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.799 1.285 . . . . 0.0 108.559 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mp -69.6 -44.19 71.26 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.432 -0.793 . . . . 0.0 109.889 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -63.07 -27.31 69.31 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.509 -1.369 . . . . 0.0 111.794 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.77 -45.46 71.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.252 1.821 . . . . 0.0 110.766 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.21 -40.28 93.94 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 120.61 1.55 . . . . 0.0 107.724 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.9 tm? -56.33 -54.43 45.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.622 1.169 . . . . 0.0 110.529 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -40.62 81.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.14 1.376 . . . . 0.0 111.593 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -42.88 82.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.462 0.305 . . . . 0.0 111.072 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.47 41.28 0.33 Allowed Glycine 0 N--CA 1.44 -1.033 0 C-N-CA 127.389 2.423 . . . . 0.0 113.33 166.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -119.68 -25.76 5.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.575 1.187 . . . . 0.0 112.843 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -65.1 0.74 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 43.87 178.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.78 1.632 . . . . 0.0 112.263 -158.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 65.98 -53.55 0.39 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.028 2.131 . . . . 0.0 114.644 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p 65.95 -11.9 0.19 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.323 3.449 . . . . 0.0 116.163 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -48.97 -46.28 43.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 119.455 1.025 . . . . 0.0 111.153 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.91 -44.73 76.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.801 -0.619 . . . . 0.0 109.367 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.35 -46.79 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 119.337 0.971 . . . . 0.0 111.097 170.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.52 96.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 120.265 1.393 . . . . 0.0 110.139 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -33.12 74.97 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 121.168 -0.957 . . . . 0.0 108.595 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.605 HG22 HD13 ' A' ' 50' ' ' ILE . 28.4 m -65.3 -54.52 27.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.378 0.0 OUTLIER -51.53 -43.29 62.26 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 121.343 1.883 . . . . 0.0 115.297 178.601 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -59.22 -37.07 76.59 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.631 1.105 . . . . 0.0 110.324 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -87.54 -34.31 18.63 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 125.092 1.357 . . . . 0.0 108.471 -175.331 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.605 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -60.19 -53.63 46.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.06 16.6 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.902 -1.124 . . . . 0.0 112.966 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.513 HH11 HD22 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.73 -58.98 2.33 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.733 1.613 . . . . 0.0 110.658 165.108 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.67 HD13 ' HG3' ' A' ' 21' ' ' LYS . 6.2 mt -62.18 -56.19 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 126.681 1.992 . . . . 0.0 112.4 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -30.93 68.37 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.013 -1.054 . . . . 0.0 110.75 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -60.19 -52.2 66.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.725 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 6' ' ' LEU . 2.0 mm -51.14 -45.91 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.948 1.249 . . . . 0.0 110.077 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -54.65 30.43 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 124.039 0.837 . . . . 0.0 108.89 174.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.5 71.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.64 -43.56 62.67 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.263 1.025 . . . . 0.0 109.115 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -70.79 -34.87 72.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 117.98 -1.009 . . . . 0.0 113.421 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.54 -48.43 74.72 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.484 1.115 . . . . 0.0 108.827 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.05 -30.84 22.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.702 0.683 . . . . 0.0 111.623 -178.454 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.34 10.26 5.14 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 119.384 1.592 . . . . 0.0 110.678 178.4 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 122.128 0.966 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m 44.47 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 127.424 2.289 . . . . 0.0 110.545 -127.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -50.15 -54.49 20.39 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 127.376 2.271 . . . . 0.0 110.61 -162.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.03 -43.42 67.94 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 125.769 1.628 . . . . 0.0 112.189 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.11 -21.29 61.5 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.345 0.975 . . . . 0.0 111.019 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -10.27 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.613 1.165 . . . . 0.0 113.138 -170.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.593 ' HB2' HD13 ' A' ' 14' ' ' LEU . 26.5 m-85 -77.52 172.89 12.66 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.474 1.034 . . . . 0.0 110.671 -173.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 14' ' ' LEU . 21.4 p -85.77 155.4 21.04 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.676 -1.155 . . . . 0.0 108.03 170.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.47 -33.66 9.79 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 122.002 2.183 . . . . 0.0 113.613 -173.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.75 -45.48 74.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.334 1.021 . . . . 0.0 111.858 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.54 -38.11 77.37 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.423 0.689 . . . . 0.0 110.705 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -55.24 -61.46 2.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.797 1.639 . . . . 0.0 107.131 -177.524 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -55.4 -42.86 74.64 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.539 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.3 -4.61 14.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 120.423 1.465 . . . . 0.0 113.482 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -53.68 4.58 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 120.158 -1.589 . . . . 0.0 107.946 163.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -88.93 -25.38 22.11 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.447 -0.783 . . . . 0.0 112.637 -158.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.42 70.97 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.027 2.131 . . . . 0.0 108.813 160.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -56.21 23.87 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 119.491 1.042 . . . . 0.0 110.325 -174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.8 mmmt -59.92 -52.28 66.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -45.39 -54.66 6.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.943 1.247 . . . . 0.0 111.794 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -60.62 -50.92 71.59 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.398 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.72 -55.31 9.81 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.474 1.11 . . . . 0.0 109.974 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.12 -49.53 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.752 1.614 . . . . 0.0 111.86 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 ttt -65.85 -31.32 72.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 125.816 1.646 . . . . 0.0 113.094 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -83.22 -36.97 24.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 109.823 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 HG21 ' A' ' 46' ' ' THR . 99.4 mt -68.81 -46.06 69.62 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.116 1.767 . . . . 0.0 109.292 176.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.22 -33.26 72.01 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.483 -1.386 . . . . 0.0 110.31 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.46 -30.29 70.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.328 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.53 -41.82 62.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 121.188 1.813 . . . . 0.0 108.458 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.85 -52.93 63.33 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.259 1.024 . . . . 0.0 110.729 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.28 -14.43 55.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.883 0.873 . . . . 0.0 111.833 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.15 -10.15 26.5 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.68 1.127 . . . . 0.0 112.892 168.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.7 36.76 13.01 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 128.169 2.795 . . . . 0.0 111.637 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -119.0 -23.12 6.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.275 1.03 . . . . 0.0 110.52 -168.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -74.06 140.79 45.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.186 0.994 . . . . 0.0 109.186 172.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 37' ' ' LEU . 13.7 mptt -48.95 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.615 1.166 . . . . 0.0 111.353 174.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -151.38 140.94 21.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.212 1.405 . . . . 0.0 107.342 -168.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -56.98 -15.8 5.69 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 p -55.44 -34.28 64.32 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.412 1.085 . . . . 0.0 111.726 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.01 -46.33 71.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.328 1.051 . . . . 0.0 109.386 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -44.96 83.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.824 174.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -47.08 77.45 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 121.149 1.795 . . . . 0.0 110.646 -177.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' HH11 ' A' ' 48' ' ' ARG . 11.1 mt -66.17 -41.77 89.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 123.564 0.746 . . . . 0.0 109.131 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 50' ' ' ILE . 97.7 m -63.74 -49.47 72.89 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -54.21 -43.35 70.69 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 127.078 2.151 . . . . 0.0 112.905 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.468 HH11 ' CD2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -56.39 -37.31 69.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.797 1.18 . . . . 0.0 110.681 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.53 -26.42 17.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.752 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -61.95 -53.24 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 CA-C-N 120.786 1.63 . . . . 0.0 106.747 168.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -2.52 11.05 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 118.484 0.584 . . . . 0.0 111.864 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -63.66 1.25 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.209 1.404 . . . . 0.0 111.299 161.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 18' ' ' LEU . 3.7 mp -57.4 -55.34 21.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 120.352 1.433 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -31.79 68.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 120.55 -1.344 . . . . 0.0 110.671 -175.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 m -69.53 -30.45 68.28 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.803 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.89 -46.29 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 122.48 2.4 . . . . 0.0 108.814 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 18' ' ' LEU . 3.0 tt -61.89 -44.36 96.96 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.038 -0.982 . . . . 0.0 108.993 175.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -53.29 -53.94 43.65 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.475 1.034 . . . . 0.0 110.35 178.37 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.72 -15.46 53.08 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.681 1.593 . . . . 0.0 111.508 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.1 mtm105 -99.94 -11.09 20.96 Favored 'General case' 0 CA--C 1.525 0.018 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.281 172.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.22 -44.59 83.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 120.681 1.582 . . . . 0.0 106.917 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -107.19 -15.29 14.7 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.733 1.213 . . . . 0.0 113.408 -175.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.76 64.55 2.32 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.594 ' CD1' HD23 ' A' ' 62' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.443 -0.811 0 C-N-CA 127.218 2.207 . . . . 0.0 108.433 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.444 -0.761 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.45 -60.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 128.48 2.712 . . . . 0.0 108.401 -157.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.58 -46.86 58.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.15 0.976 . . . . 0.0 110.337 -173.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 13.3 mt -75.68 -11.68 60.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.86 -1.15 . . . . 0.0 113.145 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.21 24.02 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 113.671 166.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -43.15 89.78 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.377 1.071 . . . . 0.0 110.418 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' HD23 ' A' ' 14' ' ' LEU . 55.1 m-85 -57.44 157.03 7.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 125.099 1.499 . . . . 0.0 112.528 -161.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.0 p -64.78 161.39 18.16 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.376 -0.827 . . . . 0.0 109.822 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -47.7 -32.87 6.22 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 179.215 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -88.93 -43.15 11.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.762 1.225 . . . . 0.0 110.92 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.84 -31.72 72.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.712 1.142 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 11' ' ' ASP . 13.1 mt -61.09 -69.2 0.25 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.083 1.353 . . . . 0.0 107.597 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.09 65.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 116.592 -1.67 . . . . 0.0 109.45 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.79 -4.88 17.73 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.478 1.036 . . . . 0.0 113.287 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 -43.47 5.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 120.755 -1.216 . . . . 0.0 109.328 170.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.64 HD22 HG23 ' A' ' 53' ' ' ILE . 1.2 mt -78.97 -32.31 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -168.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -58.36 -43.35 88.32 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.563 1.164 . . . . 0.0 111.4 164.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -67.11 -49.88 63.38 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.767 0.712 . . . . 0.0 109.745 -172.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -54.09 -63.27 1.2 Allowed 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.145 -1.597 . . . . 0.0 107.963 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.32 62.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.946 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.6 -46.45 63.38 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.073 1.761 . . . . 0.0 111.841 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.9 -47.12 60.84 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 126.381 1.872 . . . . 0.0 109.812 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 tp -47.86 -54.69 11.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.96 0.8 . . . . 0.0 111.276 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.78 -22.09 62.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -39.2 18.34 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.588 1.555 . . . . 0.0 108.285 -177.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 37' ' ' LEU . 3.7 mp -62.53 -50.39 71.56 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 -59.48 -28.17 66.77 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.654 -1.279 . . . . 0.0 112.487 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.92 -25.77 59.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 111.514 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -81.7 -29.54 32.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 119.622 -1.924 . . . . 0.0 106.589 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 32' ' ' LEU . 3.3 tm? -68.96 -51.34 40.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.982 1.313 . . . . 0.0 111.477 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.31 -48.46 18.21 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.478 1.511 . . . . 0.0 109.29 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -26.73 63.54 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 123.79 0.836 . . . . 0.0 112.112 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.2 23.86 10.13 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 126.22 1.867 . . . . 0.0 113.571 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.46 -31.41 7.83 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.701 1.201 . . . . 0.0 109.942 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 28' ' ' LEU . 7.4 tp -86.19 114.07 22.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.67 1.588 . . . . 0.0 109.519 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -116.0 57.57 0.75 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.117 1.767 . . . . 0.0 108.957 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.97 76.86 0.65 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 120.989 -1.069 . . . . 0.0 109.719 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.9 p -75.83 -31.7 59.48 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.424 -1.422 . . . . 0.0 112.584 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -65.8 -32.27 73.71 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.261 0.937 . . . . 0.0 110.283 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.68 -42.82 85.91 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -48.76 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 119.665 1.12 . . . . 0.0 108.845 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -44.69 76.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.198 1.399 . . . . 0.0 111.276 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.12 -23.85 62.17 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 121.102 -0.999 . . . . 0.0 108.99 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.535 HG22 HD13 ' A' ' 50' ' ' ILE 0.251 33.7 m -75.36 -59.01 2.94 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 116.617 -1.658 . . . . 0.0 107.271 178.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -49.85 -41.56 45.47 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 123.421 2.828 . . . . 0.0 113.691 174.233 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -51.23 -59.8 3.81 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.212 1.005 . . . . 0.0 111.751 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.06 -31.93 61.4 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.059 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -50.87 -49.9 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 120.412 1.46 . . . . 0.0 107.144 168.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 -5.13 47.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.977 0.808 . . . . 0.0 111.96 -171.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -61.67 1.66 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.256 1.822 . . . . 0.0 111.287 162.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 18' ' ' LEU . 1.8 mp -54.76 -57.16 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 C-N-CA 126.14 1.776 . . . . 0.0 113.252 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -34.3 70.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -64.45 -41.78 96.35 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 114.56 -2.638 . . . . 0.0 111.014 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -48.66 -46.21 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 123.672 2.942 . . . . 0.0 110.148 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.4 tt -64.42 -43.73 93.42 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.971 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.07 -52.24 26.74 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 122.962 0.505 . . . . 0.0 109.86 170.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -49.86 -29.89 8.94 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.94 1.296 . . . . 0.0 114.472 -173.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -0.56 16.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.26 1.824 . . . . 0.0 114.018 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.99 -8.6 59.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 121.551 1.978 . . . . 0.0 109.811 160.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 58' ' ' ARG . 42.2 mt -131.63 -156.59 0.76 Allowed 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 129.32 3.048 . . . . 0.0 105.729 -163.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.0 39.33 1.92 Allowed Glycine 0 CA--C 1.519 0.338 0 CA-C-O 119.035 -0.869 . . . . 0.0 111.603 167.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 N--CA 1.436 -1.13 0 C-N-CA 124.787 1.235 . . . . 0.0 109.04 177.169 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 114.975 -2.44 . . . . 0.0 113.255 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -44.16 -42.9 6.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 122.239 2.29 . . . . 0.0 110.37 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.93 -53.67 9.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.958 1.703 . . . . 0.0 114.454 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 2.7 mp -90.71 -23.81 20.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 128.005 2.522 . . . . 0.0 113.628 -171.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -10.82 47.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.469 -0.776 . . . . 0.0 110.936 172.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -22.5 61.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.806 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.8 m-85 -63.58 161.03 15.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 123.758 0.823 . . . . 0.0 109.604 -171.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -72.22 161.2 31.19 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.667 -1.27 . . . . 0.0 109.477 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.1 -19.93 65.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 121.796 2.089 . . . . 0.0 113.783 -170.68 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.95 -44.74 25.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.765 0.826 . . . . 0.0 112.3 164.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.37 -33.77 76.27 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 119.688 1.131 . . . . 0.0 110.63 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 11' ' ' ASP . 30.6 mt -61.82 -66.26 0.56 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.505 2.722 . . . . 0.0 106.029 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -53.96 -48.71 70.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 119.226 0.921 . . . . 0.0 109.358 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.35 -2.0 23.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.419 1.009 . . . . 0.0 112.188 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.89 -54.05 3.32 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.822 1.649 . . . . 0.0 107.479 172.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -71.17 -40.85 71.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.13 -171.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -64.43 -35.33 80.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.874 1.27 . . . . 0.0 110.639 174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.69 -50.02 54.27 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 10.5 mmmt -59.49 -52.93 63.47 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.964 0.906 . . . . 0.0 108.6 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -46.6 -48.23 19.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 115.509 -2.186 . . . . 0.0 112.521 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -67.53 -50.35 59.07 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 121.939 2.154 . . . . 0.0 109.957 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -52.82 10.93 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 125.441 1.496 . . . . 0.0 110.13 -172.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.96 -47.21 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.128 1.331 . . . . 0.0 112.2 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.1 mtt -66.56 -26.85 67.32 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.14 -37.44 14.2 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.264 1.031 . . . . 0.0 109.676 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 37' ' ' LEU . 98.2 mt -59.82 -51.08 71.26 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 125.47 1.508 . . . . 0.0 109.158 171.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.7 ptt85 -60.31 -28.3 68.0 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.937 -1.102 . . . . 0.0 111.519 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -71.32 -26.89 63.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 111.033 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -73.9 -33.8 64.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.739 1.608 . . . . 0.0 108.651 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.42 -51.59 59.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.073 0.851 . . . . 0.0 110.292 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.33 21.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.306 1.842 . . . . 0.0 110.424 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mmt -81.33 -17.99 47.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.22 30.67 11.95 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 126.288 1.899 . . . . 0.0 112.985 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -121.24 -22.17 6.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.566 0.746 . . . . 0.0 110.101 -167.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD11 HG12 ' A' ' 43' ' ' ILE . 6.0 tt -62.68 120.59 11.49 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 124.635 1.174 . . . . 0.0 110.782 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -71.92 75.94 0.9 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.665 1.586 . . . . 0.0 109.977 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.52 124.09 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.227 3.011 . . . . 0.0 115.182 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.1 p -49.08 -16.97 0.17 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.181 2.592 . . . . 0.0 117.134 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 m -51.65 -38.45 54.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 120.839 1.654 . . . . 0.0 110.731 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.8 -50.43 73.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.015 0.926 . . . . 0.0 109.796 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.39 -49.6 79.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-O 117.256 -1.354 . . . . 0.0 109.888 178.485 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -45.67 62.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.968 1.713 . . . . 0.0 110.881 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.73 -13.94 58.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 O-C-N 121.403 -0.811 . . . . 0.0 110.35 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 50' ' ' ILE . 35.2 m -87.44 -55.49 3.77 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.758 1.623 . . . . 0.0 106.935 172.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -45.39 -45.78 12.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 128.366 2.666 . . . . 0.0 112.43 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -50.1 -54.14 22.52 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.09 0.859 . . . . 0.0 111.344 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.16 -27.03 56.82 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 126.019 1.728 . . . . 0.0 109.465 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -66.59 -55.7 17.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 121.905 2.139 . . . . 0.0 106.796 173.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 0.76 5.63 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.29 -0.881 . . . . 0.0 112.113 -173.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.539 ' HD2' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -99.33 -60.11 1.59 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.603 3.161 . . . . 0.0 110.083 171.497 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 18' ' ' LEU . 68.7 mt -64.95 -52.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 127.801 2.44 . . . . 0.0 110.778 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -33.47 69.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.788 -1.195 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.5 m -66.68 -36.43 82.51 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.58 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.454 HG13 HD23 ' A' ' 6' ' ' LEU . 2.9 mm -51.93 -44.76 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.804 2.093 . . . . 0.0 110.76 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.29 -51.45 69.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.727 0.811 . . . . 0.0 109.906 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -50.31 45.72 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 0.0 110.717 175.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.64 -29.12 70.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.081 1.353 . . . . 0.0 110.071 -173.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -83.47 -20.93 33.11 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 121.315 -0.866 . . . . 0.0 112.884 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.27 -58.68 5.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.8 -13.06 56.94 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.974 0.806 . . . . 0.0 111.61 -174.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.97 51.27 7.08 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 109.062 152.397 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.3 m 57.68 -60.34 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 127.563 2.345 . . . . 0.0 110.669 -147.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.3 -52.83 63.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.158 2.183 . . . . 0.0 109.604 -174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.64 -15.12 60.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 119.794 -1.816 . . . . 0.0 113.835 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -7.68 47.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 119.536 1.062 . . . . 0.0 112.283 170.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.24 -10.99 59.97 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.376 1.87 . . . . 0.0 112.906 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.804 ' HB2' HD13 ' A' ' 14' ' ' LEU . 48.5 m-85 -81.15 165.65 21.36 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -174.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 14' ' ' LEU . 49.4 p -70.83 152.99 43.15 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -43.58 -29.77 0.52 Allowed 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 128.169 2.588 . . . . 0.0 113.343 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.93 -51.89 9.02 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.866 0.729 . . . . 0.0 111.112 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.0 -35.87 73.96 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 123.083 0.553 . . . . 0.0 111.392 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -54.74 -69.23 0.13 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -43.64 72.54 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.463 -2.208 . . . . 0.0 109.837 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -64.62 -15.33 61.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 120.304 1.411 . . . . 0.0 112.745 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 -43.87 7.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.38 -30.06 37.83 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.169 -0.957 . . . . 0.0 108.456 -172.26 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.81 -33.54 68.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.845 -0.597 . . . . 0.0 112.261 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 43.1 tt0 -66.82 -55.78 13.34 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.277 0.56 . . . . 0.0 110.113 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.1 mmmt -59.66 -53.62 55.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 119.745 -1.847 . . . . 0.0 108.989 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -52.81 -39.11 62.12 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 120.699 1.591 . . . . 0.0 111.943 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 9.5 ptm85 -76.03 -40.34 53.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.768 1.622 . . . . 0.0 112.998 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -51.42 -53.07 40.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.563 1.545 . . . . 0.0 107.58 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.623 HD11 ' HD3' ' A' ' 47' ' ' LYS . 30.5 tp -53.99 -50.57 66.28 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.034 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.9 ttm -55.16 -28.71 54.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -42.13 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.485 1.114 . . . . 0.0 109.762 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 46' ' ' THR . 92.2 mt -68.58 -33.62 74.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 O-C-N 120.817 -1.177 . . . . 0.0 107.875 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 ptm85 -64.94 -28.19 69.36 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 120.787 -1.196 . . . . 0.0 111.399 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.53 -32.71 66.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.619 1.168 . . . . 0.0 110.928 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -71.8 -43.66 65.29 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 121.767 2.076 . . . . 0.0 106.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.2 tm? -55.5 -53.35 57.48 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.086 0.954 . . . . 0.0 110.697 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.271 1.029 . . . . 0.0 110.157 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.38 60.37 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.322 1.049 . . . . 0.0 112.53 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.72 6.85 24.55 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 129.699 3.523 . . . . 0.0 114.457 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -103.84 -28.15 11.79 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.014 1.407 . . . . 0.0 110.701 -151.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 119.27 9.2 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.517 1.527 . . . . 0.0 109.422 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 161.21 8.34 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.23 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -24.01 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 1 C-N-CA 132.744 4.418 . . . . 0.0 117.731 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . 0.347 1.5 p 23.61 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.761 3.224 . . . . 0.0 116.542 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.5 m -94.0 -34.82 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.483 -0.761 . . . . 0.0 109.892 163.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' CD2' HD13 ' A' ' 28' ' ' LEU . 7.4 tt -69.77 -46.38 65.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.779 0.718 . . . . 0.0 110.094 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -59.42 -46.49 92.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.205 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -42.79 92.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.64 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.27 -48.26 80.69 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.751 2.82 . . . . 0.0 108.707 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 28' ' ' LEU . 31.6 m -57.6 -48.48 79.29 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD3' HD11 ' A' ' 25' ' ' LEU . 3.7 mmmm -52.96 -43.22 66.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.412 1.915 . . . . 0.0 112.098 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -58.94 -40.41 84.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.569 ' O ' HD12 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -83.43 -36.02 24.56 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.888 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.479 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -58.11 -57.55 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 120.182 1.356 . . . . 0.0 109.007 175.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.34 0.09 8.91 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 120.517 -1.364 . . . . 0.0 112.041 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -57.05 2.83 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.717 1.607 . . . . 0.0 110.259 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.753 HD13 ' HG3' ' A' ' 21' ' ' LYS . 3.8 mt -66.57 -44.79 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 119.829 -1.794 . . . . 0.0 112.01 -178.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -31.23 70.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 121.402 1.91 . . . . 0.0 109.866 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -60.79 -37.27 81.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.426 -1.273 . . . . 0.0 109.698 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 3' ' ' ALA . 5.6 mm -57.75 -41.46 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 120.638 1.563 . . . . 0.0 109.968 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -53.09 61.66 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -53.55 53.17 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 119.019 0.827 . . . . 0.0 112.178 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.61 -42.65 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.919 1.288 . . . . 0.0 109.313 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -66.26 -35.14 79.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.72 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.02 -43.56 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.494 1.118 . . . . 0.0 110.156 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -19.83 24.17 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.124 0.875 . . . . 0.0 113.177 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 4.49 26.8 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.792 1.186 . . . . 0.0 115.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 126.93 2.092 . . . . 0.0 112.944 -177.257 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.45 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.9 m 57.96 -13.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 128.609 2.764 . . . . 0.0 116.341 -173.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.21 -46.92 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.768 1.627 . . . . 0.0 107.731 166.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.28 -6.34 57.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -12.07 27.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.138 0.975 . . . . 0.0 112.592 161.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -95.47 -24.23 16.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.173 1.389 . . . . 0.0 113.142 -155.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 14' ' ' LEU . 56.6 m-85 -57.67 167.15 1.15 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 118.716 0.689 . . . . 0.0 110.853 165.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.82 163.33 28.29 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.617 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.549 ' HA ' HD12 ' A' ' 14' ' ' LEU . 32.5 m-20 -53.23 -36.44 61.04 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.749 1.159 . . . . 0.0 112.109 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -62.04 -63.14 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.819 1.248 . . . . 0.0 110.984 168.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.06 -14.72 61.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 112.733 -172.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 11' ' ' ASP . 16.5 mt -70.24 -73.46 0.16 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 166.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.35 66.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 120.115 1.325 . . . . 0.0 111.029 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.13 -10.38 49.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 119.388 0.995 . . . . 0.0 113.38 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -45.96 4.77 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 1.6 mt -69.01 -32.39 71.89 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -172.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.5 -35.49 77.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.271 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.96 -48.8 77.33 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.438 0.695 . . . . 0.0 109.379 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.0 mmmt -59.36 -57.59 12.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 174.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.27 -42.82 31.8 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.399 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -69.24 -50.62 45.47 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.327 1.421 . . . . 0.0 109.864 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.35 -51.58 10.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.286 1.834 . . . . 0.0 110.21 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 tp -53.49 -53.43 51.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.335 0.516 . . . . 0.0 111.509 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.9 mtm -66.26 -22.11 66.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.668 0.787 . . . . 0.0 112.243 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.52 -44.09 9.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.763 2.025 . . . . 0.0 112.866 -174.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.64 -59.34 4.58 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 126.623 1.969 . . . . 0.0 108.534 166.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -59.42 -25.44 64.33 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.081 -1.012 . . . . 0.0 111.93 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -71.18 -30.99 67.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.926 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -78.44 -32.64 48.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 120.294 1.406 . . . . 0.0 108.837 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -58.65 -56.82 17.27 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.61 -27.9 68.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.249 1.42 . . . . 0.0 112.334 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.27 -9.9 58.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.664 0.786 . . . . 0.0 112.708 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.14 10.12 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 127.345 2.402 . . . . 0.0 109.992 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -130.11 -21.04 3.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.646 1.578 . . . . 0.0 110.537 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.51 131.83 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.735 1.614 . . . . 0.0 108.149 167.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -140.55 54.59 1.6 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.296 1.438 . . . . 0.0 111.529 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -136.5 -72.44 0.45 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.631 0.772 . . . . 0.0 109.265 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m 70.94 -20.16 0.22 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.695 2.798 . . . . 0.0 114.343 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -35.17 79.8 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.232 -1.543 . . . . 0.0 109.859 167.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.68 83.37 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.706 170.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.87 -45.0 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.605 2.002 . . . . 0.0 110.519 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -44.64 61.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 121.469 1.94 . . . . 0.0 111.193 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -80.8 -31.2 35.76 Favored 'General case' 0 N--CA 1.422 -1.871 0 C-N-CA 127.813 2.445 . . . . 0.0 109.822 -172.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.606 HG22 HD13 ' A' ' 50' ' ' ILE . 21.3 m -65.78 -53.08 45.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 167.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -52.54 -45.15 66.22 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 126.915 2.086 . . . . 0.0 112.679 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.05 -42.5 94.63 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.989 1.268 . . . . 0.0 110.21 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -70.98 -39.83 72.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -60.51 -55.21 25.92 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -8.69 25.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 119.679 1.127 . . . . 0.0 112.399 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -60.72 1.9 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.374 1.869 . . . . 0.0 109.948 167.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 4.9 mt -61.73 -54.31 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 127.53 2.332 . . . . 0.0 111.917 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -33.84 72.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 120.262 -1.524 . . . . 0.0 110.642 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -59.12 -51.36 70.36 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 116.237 -1.84 . . . . 0.0 108.175 173.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mm -46.21 -50.23 4.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-N 119.928 1.24 . . . . 0.0 110.253 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.67 -60.52 2.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 122.426 1.108 . . . . 0.0 110.545 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 -50.45 61.12 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.635 1.574 . . . . 0.0 112.364 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.86 61.19 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 128.241 2.616 . . . . 0.0 108.163 -172.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -99.9 -21.45 15.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.584 1.154 . . . . 0.0 111.598 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.29 -56.73 17.19 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 166.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -74.21 -14.58 60.96 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.419 1.009 . . . . 0.0 111.5 -178.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.4 27.73 56.96 Favored Glycine 0 N--CA 1.447 -0.598 0 O-C-N 121.763 -0.586 . . . . 0.0 113.674 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm . . . . . 0 N--CA 1.449 -0.503 0 CA-C-N 118.844 1.322 . . . . 0.0 109.175 172.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 60.89 -52.66 0.1 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 130.196 3.399 . . . . 0.0 110.831 -162.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.64 -52.35 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 124.076 0.95 . . . . 0.0 109.388 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.8 -10.31 59.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.082 -1.636 . . . . 0.0 113.768 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -4.48 24.48 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.873 0.869 . . . . 0.0 113.152 171.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -23.45 37.16 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.598 1.159 . . . . 0.0 113.031 -176.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 14' ' ' LEU . 81.5 m-85 -64.2 167.58 6.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.663 1.185 . . . . 0.0 111.537 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -77.22 164.14 25.88 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.723 173.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.495 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.97 -41.48 67.91 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.883 1.674 . . . . 0.0 111.758 -176.85 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -43.39 82.7 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 122.841 0.457 . . . . 0.0 111.966 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -67.54 -38.62 84.45 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 119.126 0.876 . . . . 0.0 110.327 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 11' ' ' ASP . 20.8 mt -67.21 -14.18 62.67 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 117.137 -1.411 . . . . 0.0 114.039 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.27 -45.67 5.27 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.335 1.854 . . . . 0.0 109.279 164.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.13 -14.35 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.806 1.639 . . . . 0.0 112.301 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.27 -57.34 3.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 123.479 1.609 . . . . 0.0 108.598 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.34 -34.35 63.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 112.804 -1.998 . . . . 0.0 111.158 -165.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.56 -30.35 71.08 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.699 1.2 . . . . 0.0 109.488 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -75.97 -52.29 10.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -56.34 -56.35 22.15 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.857 -1.152 . . . . 0.0 108.136 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -47.29 -44.57 23.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 116.462 -1.732 . . . . 0.0 113.332 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -67.46 -54.96 15.69 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 120.987 1.721 . . . . 0.0 109.806 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -45.08 -51.99 9.58 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 126.479 1.912 . . . . 0.0 110.341 -173.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.64 -48.06 66.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.697 1.135 . . . . 0.0 111.925 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ttt -66.5 -28.55 68.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.627 1.171 . . . . 0.0 112.241 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.52 -31.87 17.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.559 1.072 . . . . 0.0 110.451 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.26 -44.01 63.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.682 1.193 . . . . 0.0 108.794 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -56.72 -28.42 60.98 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.302 -1.499 . . . . 0.0 111.695 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -25.06 50.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.05 1.74 . . . . 0.0 110.049 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -77.61 -38.83 47.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.17 -49.52 73.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.929 0.892 . . . . 0.0 110.395 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.29 -14.24 6.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.198 1.799 . . . . 0.0 112.651 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.61 -8.63 18.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.623 1.169 . . . . 0.0 112.966 172.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 48.44 19.64 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 128.75 3.071 . . . . 0.0 110.206 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -121.55 -37.69 2.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.444 1.098 . . . . 0.0 109.836 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.97 -41.84 99.66 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.709 0.804 . . . . 0.0 111.434 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 tttp 55.09 86.32 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.514 1.526 . . . . 0.0 111.76 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 96.56 159.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 131.014 3.726 . . . . 0.0 111.75 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.4 p -121.09 3.36 10.44 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -57.04 -38.56 73.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 120.112 1.324 . . . . 0.0 110.04 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -69.7 -43.09 73.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.643 176.145 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -41.79 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 120.959 1.709 . . . . 0.0 110.287 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -58.47 -45.21 89.1 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.755 1.161 . . . . 0.0 110.275 175.852 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.418 HD13 ' HD3' ' A' ' 48' ' ' ARG . 2.1 mm? -69.09 -28.55 66.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 120.416 -1.427 . . . . 0.0 110.415 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 50' ' ' ILE . 18.4 m -70.92 -55.72 7.78 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -46.91 -48.3 21.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 127.783 2.433 . . . . 0.0 112.389 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 11.2 ptt85 -60.42 -45.64 92.87 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.618 1.099 . . . . 0.0 109.876 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -39.29 74.82 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -56.23 -53.37 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.19 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.706 0.685 . . . . 0.0 112.36 -172.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -62.26 1.5 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 109.369 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 mp -50.99 -59.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.9 1.68 . . . . 0.0 113.369 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -21.61 60.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 120.293 -1.505 . . . . 0.0 112.295 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -83.09 -29.8 28.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.429 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -50.15 -45.41 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 122.526 2.421 . . . . 0.0 110.765 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 18' ' ' LEU . 5.1 tt -66.76 -46.63 74.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.813 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.74 -47.71 63.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.684 1.129 . . . . 0.0 111.7 176.35 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.0 -32.52 64.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.795 1.238 . . . . 0.0 111.29 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.55 -34.39 60.73 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.394 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -55.49 -46.97 76.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.206 1.002 . . . . 0.0 109.181 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -96.3 0.22 50.53 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.68 30.43 64.02 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.198 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 N--CA 1.448 -0.545 0 C-N-CA 125.509 1.524 . . . . 0.0 110.943 171.806 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 m 62.55 -57.14 0.14 Allowed 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 129.207 3.003 . . . . 0.0 109.661 -154.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -56.07 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 128.254 2.621 . . . . 0.0 110.497 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.92 -16.65 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 126.148 1.779 . . . . 0.0 112.217 -175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.32 54.59 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.922 0.489 . . . . 0.0 110.413 169.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.02 -4.3 40.5 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.733 -167.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.345 63.0 m-85 -77.21 161.13 28.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 120.555 1.525 . . . . 0.0 108.453 -178.488 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.401 ' C ' HD22 ' A' ' 14' ' ' LEU . 73.4 p -80.03 150.41 30.38 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 172.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -36.27 -45.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 129.04 2.936 . . . . 0.0 110.261 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.12 -37.13 75.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.04 -44.18 69.73 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.498 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -49.74 -60.36 2.96 Favored 'General case' 0 C--N 1.342 0.249 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.088 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -58.34 6.52 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.69 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.56 -15.22 57.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -170.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -96.49 -51.7 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.33 -29.23 57.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.712 0.805 . . . . 0.0 109.063 -169.66 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.06 -29.33 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.404 1.082 . . . . 0.0 111.748 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -70.13 -51.7 29.44 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.151 0.98 . . . . 0.0 109.535 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -53.89 -61.48 2.28 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 173.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -47.46 -44.98 25.5 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.475 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -64.17 -55.4 22.07 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 120.258 1.39 . . . . 0.0 110.569 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.86 -49.64 19.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.72 1.208 . . . . 0.0 110.573 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.09 -52.67 41.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.179 1.354 . . . . 0.0 111.582 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.7 tpt -65.0 -25.25 67.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.481 1.112 . . . . 0.0 112.236 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.29 -40.0 12.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.215 1.007 . . . . 0.0 109.761 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 HG21 ' A' ' 46' ' ' THR . 96.7 mt -63.88 -41.46 97.73 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.149 -1.594 . . . . 0.0 109.277 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -61.61 -31.58 71.66 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.705 -1.247 . . . . 0.0 110.237 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.0 -32.66 73.21 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.358 -1.306 . . . . 0.0 111.088 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -74.03 -39.72 63.37 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 121.742 2.065 . . . . 0.0 107.52 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.11 -51.1 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.559 0.744 . . . . 0.0 110.277 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.36 -23.14 66.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.265 1.026 . . . . 0.0 111.839 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -81.52 -18.37 45.27 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 120.039 1.29 . . . . 0.0 112.386 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.33 42.83 4.8 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.181 1.848 . . . . 0.0 111.121 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -129.61 -29.73 2.14 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.144 1.472 . . . . 0.0 112.113 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 119.21 5.87 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.1 1.36 . . . . 0.0 110.609 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -55.23 -59.62 4.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.891 0.768 . . . . 0.0 112.019 -176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.4 122.53 11.46 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.719 0.69 . . . . 0.0 111.428 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.7 p -64.5 -12.99 49.91 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.05 -22.5 65.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.861 1.664 . . . . 0.0 111.597 171.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.7 -57.25 12.69 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 116.643 -1.646 . . . . 0.0 108.437 160.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -43.27 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 121.826 2.103 . . . . 0.0 110.763 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.24 -50.56 70.95 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.494 1.043 . . . . 0.0 110.008 176.804 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.74 -38.11 89.87 Favored 'General case' 0 N--CA 1.415 -2.202 0 C-N-CA 126.419 1.888 . . . . 0.0 108.286 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.564 HG22 HD13 ' A' ' 50' ' ' ILE . 5.8 m -65.16 -52.33 55.7 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -51.06 -44.16 61.1 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.881 2.073 . . . . 0.0 113.034 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD2' ' HE2' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -58.46 -49.45 77.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.784 1.174 . . . . 0.0 108.02 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.54 -42.86 82.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.564 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.32 -53.16 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.116 0 CA-C-N 120.101 1.319 . . . . 0.0 108.187 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -13.97 62.64 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.772 -174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -61.5 1.79 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.08 1.752 . . . . 0.0 109.104 172.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 mp -55.27 -56.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 127.043 2.137 . . . . 0.0 111.746 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.43 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 120.348 -1.47 . . . . 0.0 110.832 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -40.32 82.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 116.389 -1.767 . . . . 0.0 110.591 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.25 -49.1 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 122.09 2.223 . . . . 0.0 109.586 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.08 -54.26 45.38 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -47.45 30.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.675 1.19 . . . . 0.0 111.388 176.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.25 -13.35 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.915 1.286 . . . . 0.0 112.666 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -96.1 -19.97 19.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.691 1.196 . . . . 0.0 112.145 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.05 -67.06 0.46 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.64 169.28 17.85 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.364 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.1 23.63 1.39 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.865 -0.964 . . . . 0.0 114.104 -173.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 119.918 1.859 . . . . 0.0 110.566 -177.022 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 117.428 -1.272 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.31 0.63 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.577 1.535 . . . . 0.0 112.805 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.5 -44.99 16.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.651 2.38 . . . . 0.0 113.976 171.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 12.6 mt -80.96 -37.22 29.77 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 126.229 1.811 . . . . 0.0 111.234 -171.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -11.77 53.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.619 1.099 . . . . 0.0 110.847 174.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.04 0.64 56.51 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.668 1.587 . . . . 0.0 113.269 -162.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.808 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.432 29.3 m-85 -76.62 179.5 5.95 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 119.852 1.206 . . . . 0.0 110.849 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -86.59 147.0 26.12 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.769 2.077 . . . . 0.0 107.36 165.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -47.84 -31.39 4.96 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 122.891 2.587 . . . . 0.0 111.823 -177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -68.53 -47.86 65.82 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 113.58 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.82 -43.1 99.52 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.242 0.928 . . . . 0.0 110.486 170.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -54.37 -57.24 12.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -173.45 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.33 83.09 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.303 -1.332 . . . . 0.0 110.291 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -15.05 62.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 121.261 1.846 . . . . 0.0 112.626 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.33 -57.32 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 128.492 2.717 . . . . 0.0 106.723 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -67.95 -38.01 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -37.59 86.63 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.233 172.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -67.04 -50.27 62.53 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.646 1.179 . . . . 0.0 109.491 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -63.9 -54.08 40.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.698 -1.594 . . . . 0.0 106.698 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -45.95 -51.83 12.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.358 -1.306 . . . . 0.0 112.39 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.29 -52.16 59.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.316 1.416 . . . . 0.0 109.939 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -47.74 -50.4 25.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.267 1.027 . . . . 0.0 109.73 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.78 -50.51 55.86 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.174 1.352 . . . . 0.0 111.989 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mmt -62.27 -27.86 69.31 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -94.21 -25.67 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.511 1.148 . . . . 0.0 111.096 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 46' ' ' THR . 94.2 mt -70.0 -45.1 67.99 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.437 1.495 . . . . 0.0 109.151 168.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -61.56 -26.29 67.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.354 -1.466 . . . . 0.0 111.39 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.55 -46.17 89.58 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.988 0.915 . . . . 0.0 110.409 169.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.22 -40.53 90.35 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.529 1.513 . . . . 0.0 108.038 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.1 tm? -58.3 -54.04 51.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.091 0.956 . . . . 0.0 110.329 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.7 69.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.815 0.846 . . . . 0.0 112.285 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 mtt -67.7 -41.45 83.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.62 0.646 . . . . 0.0 110.857 167.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 43.88 0.57 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 125.813 1.673 . . . . 0.0 112.438 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -124.07 -26.04 4.09 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.769 1.284 . . . . 0.0 111.313 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.83 94.39 2.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.094 -1.004 . . . . 0.0 111.634 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -38.8 105.81 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.068 1.747 . . . . 0.0 111.732 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 t30 40.76 33.69 0.22 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.723 2.809 . . . . 0.0 114.814 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p 47.56 21.18 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -170.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -57.15 -41.92 80.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 120.738 -1.226 . . . . 0.0 111.581 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -47.83 29.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.881 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.37 -45.0 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.28 46.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.754 1.161 . . . . 0.0 111.201 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -13.04 61.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.559 1.144 . . . . 0.0 111.395 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.673 HG22 HD13 ' A' ' 50' ' ' ILE . 62.1 m -93.49 -52.91 4.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -49.63 -41.41 42.34 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.198 1.799 . . . . 0.0 112.32 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -51.75 -57.3 9.66 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.703 0.627 . . . . 0.0 110.77 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.22 -29.06 66.92 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.199 1.8 . . . . 0.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.673 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -70.0 -53.54 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.972 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.96 -9.87 48.86 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.762 1.164 . . . . 0.0 112.439 -173.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 6' ' ' LEU 0.28 0.4 OUTLIER -85.56 -63.13 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 130.902 3.681 . . . . 0.0 109.39 173.378 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.628 HG22 ' HA ' ' A' ' 18' ' ' LEU . 95.0 mt -66.98 -51.15 57.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 127.898 2.479 . . . . 0.0 109.954 -178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.08 69.42 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 120.136 -1.603 . . . . 0.0 109.669 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.5 m -67.89 -33.28 74.42 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 116.76 -1.59 . . . . 0.0 111.276 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.0 -37.0 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 122.065 2.211 . . . . 0.0 111.254 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.12 -59.36 4.87 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 168.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -48.19 70.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.772 0.829 . . . . 0.0 112.289 -176.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.09 -14.65 4.09 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.45 2.3 . . . . 0.0 111.486 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -104.6 -16.81 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 120.097 -1.627 . . . . 0.0 112.905 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -62.74 -46.85 86.14 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.904 0.774 . . . . 0.0 109.012 170.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.15 -21.19 27.69 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.862 -1.149 . . . . 0.0 112.612 175.327 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.05 58.91 3.83 Favored Glycine 0 CA--C 1.521 0.447 0 O-C-N 120.648 -1.282 . . . . 0.0 111.732 -168.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 126.586 1.954 . . . . 0.0 110.021 157.856 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.74 -21.59 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.999 3.72 . . . . 0.0 116.184 -159.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.575 ' CG ' HD22 ' A' ' 6' ' ' LEU . 5.7 pt-20 -90.85 -58.99 2.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 120.099 1.318 . . . . 0.0 108.15 162.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.695 HD21 HG13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -80.96 -2.86 49.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -164.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -8.66 25.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 118.946 -2.346 . . . . 0.0 111.296 169.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.49 -32.71 42.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.647 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.341 83.4 m-85 -82.3 176.96 9.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.246 -169.599 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.419 ' O ' HD22 ' A' ' 14' ' ' LEU . 41.0 p -80.56 146.22 31.38 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.38 -32.21 0.07 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 128.422 2.689 . . . . 0.0 111.982 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.98 -50.51 19.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.609 3.164 . . . . 0.0 115.393 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.953 -1.092 . . . . 0.0 110.782 168.301 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.53 -60.62 3.1 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -42.93 62.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 120.326 1.421 . . . . 0.0 109.837 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -71.72 -2.09 16.2 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.59 -40.38 5.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.282 2.233 . . . . 0.0 110.073 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -82.62 -32.19 28.47 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.624 -1.297 . . . . 0.0 109.117 -167.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.92 80.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.03 1.332 . . . . 0.0 109.801 164.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.99 -51.04 66.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.899 1.28 . . . . 0.0 109.646 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -58.19 -56.3 23.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 119.749 -1.844 . . . . 0.0 108.161 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -55.61 -34.77 65.18 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.839 -1.163 . . . . 0.0 112.126 -174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -73.32 -51.36 17.78 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 120.962 1.71 . . . . 0.0 110.98 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.96 -44.24 40.56 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.021 1.728 . . . . 0.0 111.118 -174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 47' ' ' LYS . 19.9 tp -51.63 -54.31 29.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.469 1.031 . . . . 0.0 110.955 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.4 mtt -65.64 -23.97 66.93 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.41 -40.54 13.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.137 1.375 . . . . 0.0 108.853 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.63 -51.62 61.69 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -56.65 -33.86 66.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.929 -1.107 . . . . 0.0 111.641 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.47 -28.99 69.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.071 1.348 . . . . 0.0 110.752 175.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -78.24 -30.13 48.52 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.26 -1.525 . . . . 0.0 109.127 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HB2' HD13 ' A' ' 37' ' ' LEU . 2.1 tm? -65.39 -52.88 50.51 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 119.954 1.252 . . . . 0.0 110.211 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.35 -43.38 16.02 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.703 1.601 . . . . 0.0 109.566 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -16.26 54.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.63 30.58 9.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 127.177 2.322 . . . . 0.0 112.731 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -121.35 -20.85 6.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.884 0.874 . . . . 0.0 110.071 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 32' ' ' LEU . 7.0 tt -61.84 124.13 19.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.875 1.67 . . . . 0.0 110.695 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -101.39 84.99 2.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.286 1.035 . . . . 0.0 111.184 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 91.09 112.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 128.981 2.913 . . . . 0.0 111.151 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.8 p -71.59 -7.86 50.37 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.2 m -60.2 -24.17 64.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.631 1.105 . . . . 0.0 111.907 174.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.96 -49.08 16.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -43.32 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 120.68 1.582 . . . . 0.0 110.789 -173.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -33.01 74.79 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.37 1.068 . . . . 0.0 112.491 -173.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . 0.255 1.9 tp -71.61 -42.38 67.75 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 128.945 2.898 . . . . 0.0 107.135 169.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.699 HG22 ' CD1' ' A' ' 50' ' ' ILE . 1.7 m -54.78 -54.97 35.13 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 119.834 1.197 . . . . 0.0 109.248 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.349 0.0 OUTLIER -52.05 -42.11 62.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 119.436 -2.04 . . . . 0.0 115.74 175.716 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -48.95 78.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.482 1.492 . . . . 0.0 108.78 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.97 -41.79 61.43 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 117.26 -1.353 . . . . 0.0 107.869 -173.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.699 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.1 mp -46.46 -50.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-N 120.521 1.51 . . . . 0.0 108.739 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.73 85.13 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -59.68 4.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.365 0.984 . . . . 0.0 112.159 173.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.695 HG13 HD21 ' A' ' 6' ' ' LEU . 1.4 mp -48.6 -64.11 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.504 0 C-N-CA 127.349 2.26 . . . . 0.0 111.919 172.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -29.64 70.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.761 -1.212 . . . . 0.0 109.532 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -64.28 -39.83 94.72 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 116.267 -1.825 . . . . 0.0 110.498 170.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG21 ' HB3' ' A' ' 6' ' ' LEU . 2.0 mm -51.83 -48.43 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 122.887 2.585 . . . . 0.0 109.847 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tp -55.94 -57.42 12.18 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -57.48 4.09 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.547 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -39.24 43.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.748 1.619 . . . . 0.0 109.651 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -80.15 -11.99 59.7 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.0 1.32 . . . . 0.0 114.534 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.14 -48.92 71.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.11 -36.32 14.06 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.574 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.57 25.27 3.19 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 119.129 0.877 . . . . 0.0 115.038 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mm . . . . . 0 N--CA 1.446 -0.626 0 C-N-CA 124.824 1.25 . . . . 0.0 111.226 171.374 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.443 -0.819 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t 58.8 -70.19 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.758 2.423 . . . . 0.0 107.812 -148.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.75 -48.41 79.31 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 126.688 1.995 . . . . 0.0 109.741 -164.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 42.0 mt -82.22 -14.35 55.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 119.936 -1.728 . . . . 0.0 113.127 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -9.2 58.7 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.543 1.137 . . . . 0.0 109.985 167.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -87.99 -19.04 27.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 118.455 -0.783 . . . . 0.0 113.045 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.563 ' HB2' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -68.76 163.75 23.35 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 124.164 0.986 . . . . 0.0 109.797 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 44.3 p -82.02 167.59 18.69 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 110.845 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -50.42 -41.29 52.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.634 1.106 . . . . 0.0 111.506 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.66 -46.17 55.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.03 1.332 . . . . 0.0 113.091 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 10' ' ' THR . 2.1 mm-40 -66.5 -38.37 87.1 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.049 -1.032 . . . . 0.0 110.484 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 9' ' ' TYR . 19.5 mt -56.31 -66.2 0.47 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.066 2.147 . . . . 0.0 107.122 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -49.93 -51.17 43.1 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.997 1.272 . . . . 0.0 109.677 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -68.19 -11.12 58.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -46.89 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.105 1.762 . . . . 0.0 108.498 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -78.76 -35.69 44.16 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.865 0.866 . . . . 0.0 110.127 -170.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -37.21 73.95 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.85 1.26 . . . . 0.0 109.059 169.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.31 -51.82 58.11 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 123.916 0.886 . . . . 0.0 109.174 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.2 mmmt -54.96 -58.98 5.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.25 -1.531 . . . . 0.0 107.91 173.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -50.37 13.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 116.456 -1.735 . . . . 0.0 112.375 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.92 -57.68 9.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 117.101 -1.428 . . . . 0.0 109.09 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -46.28 -43.95 16.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 126.171 1.788 . . . . 0.0 111.717 -170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.605 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.3 tm? -54.08 -54.57 37.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.993 1.27 . . . . 0.0 110.884 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.7 mtp -62.58 -17.4 60.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.276 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -18.8 13.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.518 1.127 . . . . 0.0 111.195 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 46' ' ' THR . 2.0 mp -75.34 -51.78 12.37 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.916 1.686 . . . . 0.0 107.076 167.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -57.52 -30.56 65.25 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.876 -0.515 . . . . 0.0 110.672 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.43 -39.1 93.58 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.469 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.72 -25.34 49.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 119.985 1.266 . . . . 0.0 107.651 -176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.58 -53.57 22.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.209 0.913 . . . . 0.0 109.411 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -36.33 38.72 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -23.87 52.14 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.696 0.798 . . . . 0.0 112.455 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.16 48.7 3.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 127.211 2.339 . . . . 0.0 110.388 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.51 -54.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.274 1.029 . . . . 0.0 108.771 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.73 116.26 3.94 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 170.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -122.12 39.55 3.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.318 1.047 . . . . 0.0 109.536 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -143.45 101.05 3.72 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 120.815 -1.178 . . . . 0.0 110.302 153.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -62.31 -25.14 67.71 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.479 -0.763 . . . . 0.0 112.653 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -78.36 -18.48 55.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.349 -0.844 . . . . 0.0 112.65 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.11 -51.38 61.65 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 162.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -46.41 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.46 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -47.96 70.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 120.238 1.381 . . . . 0.0 111.954 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.04 -29.23 62.83 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 50' ' ' ILE . 2.3 m -67.12 -52.04 46.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.605 ' HD3' HD21 ' A' ' 25' ' ' LEU . 6.5 mmmt -52.34 -45.3 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 119.889 -1.757 . . . . 0.0 113.875 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -57.37 -47.77 80.77 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.686 1.195 . . . . 0.0 107.969 -174.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.602 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -58.24 -48.18 85.45 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 O-C-N 120.521 -1.362 . . . . 0.0 107.748 177.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.86 95.08 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-O 117.25 -1.357 . . . . 0.0 109.234 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HD2' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -58.22 -61.68 2.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 120.132 1.333 . . . . 0.0 113.441 175.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.9 mt -53.77 -59.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 127.601 2.36 . . . . 0.0 111.801 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.13 71.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.368 -1.458 . . . . 0.0 109.784 -175.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -62.34 -39.37 92.86 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.435 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -52.36 -49.26 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 121.844 2.111 . . . . 0.0 109.728 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tp -55.04 -55.87 26.09 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -50.96 29.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.49 1.116 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.96 -18.26 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 126.451 1.9 . . . . 0.0 111.602 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -85.11 -32.04 23.01 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.582 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.352 1.461 . . . . 0.0 108.923 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.13 -10.62 59.12 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.251 0.932 . . . . 0.0 112.25 178.525 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.14 62.82 5.07 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 124.205 0.907 . . . . 0.0 111.936 -169.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mm . . . . . 0 N--CA 1.448 -0.573 0 C-N-CA 124.8 1.24 . . . . 0.0 110.945 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -41.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.926 2.49 . . . . 0.0 112.491 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.44 -55.94 4.68 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 123.123 1.44 . . . . 0.0 108.098 171.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 15.1 mt -80.3 -14.12 58.64 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 120.619 -1.301 . . . . 0.0 114.126 -165.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.37 0.16 53.23 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.939 0.896 . . . . 0.0 110.919 165.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -74.68 -32.38 62.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.394 0.997 . . . . 0.0 111.9 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.586 ' HB2' HD23 ' A' ' 14' ' ' LEU . 78.6 m-85 -54.43 151.46 7.67 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 124.106 0.879 . . . . 0.0 110.146 -174.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -69.3 164.3 23.13 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.561 0.619 . . . . 0.0 110.567 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.4 m-20 -53.0 -34.36 55.95 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.964 1.256 . . . . 0.0 111.734 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.55 -40.03 36.05 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -64.4 -49.45 71.51 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.639 1.109 . . . . 0.0 109.822 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 9' ' ' TYR . 20.1 mt -48.59 -66.84 0.33 Allowed 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 128.147 2.579 . . . . 0.0 107.304 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -50.09 50.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -65.23 -16.96 64.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 112.952 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.64 -36.66 10.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.153 1.781 . . . . 0.0 109.666 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -87.17 -35.24 18.7 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.955 -1.091 . . . . 0.0 108.244 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -34.15 68.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.743 -1.122 . . . . 0.0 109.867 168.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 24.2 tp10 -63.27 -53.96 44.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.81 1.644 . . . . 0.0 110.736 175.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 1.2 mmmm -57.28 -57.21 13.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.22 -2.175 . . . . 0.0 107.42 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -47.75 -44.66 28.3 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 117.772 -1.109 . . . . 0.0 112.809 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 12.6 ptm180 -72.24 -46.23 56.92 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.881 1.219 . . . . 0.0 111.319 177.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -51.46 -47.87 62.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.482 1.513 . . . . 0.0 108.606 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 47' ' ' LYS . 2.0 tm? -57.55 -53.92 52.69 Favored 'General case' 0 C--N 1.333 -0.127 0 O-C-N 120.971 -1.081 . . . . 0.0 110.888 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.2 ttp -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 124.632 1.173 . . . . 0.0 113.113 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -94.35 -30.5 14.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.717 0.77 . . . . 0.0 110.768 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.77 -43.53 75.56 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -61.09 -29.59 69.84 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.821 -1.174 . . . . 0.0 111.026 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.7 -37.95 79.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.656 1.183 . . . . 0.0 111.05 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.7 -42.72 63.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.68 -46.24 90.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.041 0.936 . . . . 0.0 110.154 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.66 -27.42 69.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.237 1.015 . . . . 0.0 112.399 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.9 mmt -85.55 -7.69 58.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.232 1.013 . . . . 0.0 111.829 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.15 33.71 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 125.292 1.425 . . . . 0.0 110.485 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -115.95 -35.5 4.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -65.53 132.19 48.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.753 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 37' ' ' LEU . 3.2 tmtp? -53.52 -48.96 68.54 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.514 1.526 . . . . 0.0 114.494 -172.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -149.96 145.32 26.39 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.027 1.285 . . . . 0.0 111.538 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 p -62.03 -31.15 71.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.626 1.571 . . . . 0.0 113.573 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -60.54 -28.34 68.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.48 -0.762 . . . . 0.0 111.229 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 37' ' ' LEU . 27.4 tp -62.69 -46.53 87.71 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 174.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -56.12 16.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 120.572 1.533 . . . . 0.0 108.104 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -43.46 46.05 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.707 1.594 . . . . 0.0 112.41 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.97 -46.57 67.78 Favored 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 128.556 2.742 . . . . 0.0 109.246 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -67.55 -48.4 67.06 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' CB ' HD23 ' A' ' 25' ' ' LEU 0.387 0.0 OUTLIER -63.81 -29.33 70.54 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.473 2.309 . . . . 0.0 114.713 179.892 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 11.7 ptt85 -57.29 -46.04 83.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 170.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.13 -40.81 64.6 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.126 1.77 . . . . 0.0 107.223 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.73 -55.46 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.247 0 CA-C-N 121.191 1.814 . . . . 0.0 107.241 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.76 -0.24 17.57 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.454 -171.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -65.45 1.01 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.241 1.416 . . . . 0.0 111.379 160.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 HD22 ' A' ' 18' ' ' LEU . 1.6 mp -51.86 -60.46 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 128.262 2.625 . . . . 0.0 111.96 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -33.44 61.93 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.53 -0.731 . . . . 0.0 109.944 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 m -74.69 -28.34 60.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.434 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -54.2 -45.45 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 122.425 2.375 . . . . 0.0 110.419 172.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HB2' HD12 ' A' ' 18' ' ' LEU . 9.5 tp -58.84 -53.43 58.51 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.856 0.722 . . . . 0.0 109.059 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -52.62 16.94 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.378 1.071 . . . . 0.0 111.038 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.72 -22.45 65.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.943 1.697 . . . . 0.0 111.598 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -86.79 -19.74 28.6 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.338 -1.315 . . . . 0.0 112.864 172.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.18 -57.21 9.11 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -30.19 63.36 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.11 63.65 1.37 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -169.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 129.419 3.088 . . . . 0.0 109.532 167.412 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.386 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m 41.47 -15.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.665 3.186 . . . . 0.0 118.681 -144.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.723 ' HG3' HD22 ' A' ' 6' ' ' LEU . 15.6 pt-20 -101.08 -57.3 2.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 170.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -74.08 -15.15 61.07 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.167 -1.583 . . . . 0.0 113.737 -169.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -17.99 25.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 120.976 1.716 . . . . 0.0 111.11 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -80.85 -23.15 39.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.826 -166.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 94.1 m-85 -61.43 162.23 8.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 118.289 0.495 . . . . 0.0 111.626 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -74.21 162.73 28.64 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.397 -0.815 . . . . 0.0 110.117 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.59 -25.85 40.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.867 1.212 . . . . 0.0 112.98 -174.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.24 -47.61 10.62 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.307 0.643 . . . . 0.0 111.836 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.31 -40.86 83.15 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 11' ' ' ASP . 36.5 mt -51.41 -68.98 0.12 Allowed 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 127.575 2.35 . . . . 0.0 108.463 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.42 64.78 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 117.325 -1.322 . . . . 0.0 109.687 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -72.62 -2.32 19.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.855 1.207 . . . . 0.0 112.409 -174.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -54.75 3.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 164.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.41 -22.75 40.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.921 -0.487 . . . . 0.0 110.685 -159.65 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.69 -51.69 46.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 111.281 158.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -54.12 50.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.532 1.06 . . . . 0.0 111.038 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 29.5 mmmt -57.44 -57.42 12.76 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 45.5 pttt -52.54 -41.74 63.79 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.909 1.686 . . . . 0.0 111.675 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -66.1 -50.26 64.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 121.208 1.822 . . . . 0.0 110.592 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -47.39 33.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.777 1.631 . . . . 0.0 111.028 -175.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -54.2 -50.32 67.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.024 -1.048 . . . . 0.0 111.921 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtp -72.54 -20.46 61.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.714 1.206 . . . . 0.0 112.538 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.93 -38.75 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.636 1.974 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.99 -39.93 79.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 120.305 -1.497 . . . . 0.0 108.651 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -62.96 -22.95 67.17 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.908 -1.745 . . . . 0.0 112.279 172.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -73.21 -43.35 61.44 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.4 0.68 . . . . 0.0 109.679 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.39 -34.19 75.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 119.973 1.26 . . . . 0.0 109.244 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.88 -54.88 27.89 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 119.764 1.165 . . . . 0.0 110.796 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.75 -36.28 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 113.938 -1.483 . . . . 0.0 110.104 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.4 mmt -86.5 -11.17 52.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.159 0.984 . . . . 0.0 113.099 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.73 45.24 9.55 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 126.399 1.952 . . . . 0.0 110.547 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -127.17 -21.6 3.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.592 1.557 . . . . 0.0 109.911 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -75.47 113.55 13.0 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 113.385 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 80.26 1.79 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.311 1.044 . . . . 0.0 111.639 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 69.46 119.22 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.88 2.872 . . . . 0.0 115.573 171.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.0 m -65.95 -4.54 7.21 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.045 2.538 . . . . 0.0 115.821 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -35.96 69.72 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 121.346 1.885 . . . . 0.0 110.788 164.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.46 -38.83 88.22 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.199 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -55.3 16.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.726 1.148 . . . . 0.0 109.212 172.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -45.21 65.03 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 120.204 1.366 . . . . 0.0 110.863 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.01 -12.62 60.17 Favored 'General case' 0 N--CA 1.433 -1.279 0 O-C-N 121.635 -0.666 . . . . 0.0 109.925 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 50' ' ' ILE . 93.2 m -87.98 -51.34 5.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.418 1.487 . . . . 0.0 108.419 175.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.414 0.0 OUTLIER -54.45 -33.39 59.46 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 122.476 2.398 . . . . 0.0 115.033 174.037 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -52.23 -45.98 65.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.24 0.927 . . . . 0.0 109.895 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' HE3' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.63 -44.02 21.76 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 126.342 1.857 . . . . 0.0 107.284 -174.528 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -56.96 -49.97 77.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -4.01 32.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.478 1.035 . . . . 0.0 112.869 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -64.95 1.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.097 1.359 . . . . 0.0 110.64 164.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 18' ' ' LEU . 4.2 mp -56.51 -57.45 9.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 126.098 1.759 . . . . 0.0 110.325 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -36.22 70.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.844 0.747 . . . . 0.0 109.89 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -63.91 -37.13 86.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 116.829 -1.558 . . . . 0.0 111.124 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -56.56 -44.7 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.754 2.07 . . . . 0.0 111.438 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -55.54 32.69 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.8 -53.53 24.7 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 125.674 1.59 . . . . 0.0 112.153 -178.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.75 -49.15 29.17 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.269 2.228 . . . . 0.0 109.029 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.36 -17.37 62.43 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.365 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.15 -52.5 27.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.176 1.353 . . . . 0.0 107.779 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -90.73 -9.42 46.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.628 1.104 . . . . 0.0 112.212 -175.656 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 44.51 43.33 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 103.622 -2.732 . . . . 0.0 103.622 154.406 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 116.549 -1.691 . . . . 0.0 114.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.0 m -51.33 -27.08 8.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 122.136 2.243 . . . . 0.0 113.642 -166.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 7.6 pt-20 -62.16 -70.3 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.279 2.632 . . . . 0.0 112.475 161.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.64 -39.4 93.75 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 119.736 -1.852 . . . . 0.0 113.794 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -8.04 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.76 1.224 . . . . 0.0 111.658 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -16.65 53.96 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.42 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.54 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.274 31.7 m-85 -64.94 153.32 40.82 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 119.473 1.033 . . . . 0.0 109.3 -177.6 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.18 162.12 29.91 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.665 -0.647 . . . . 0.0 109.295 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -54.38 -25.58 25.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.694 1.133 . . . . 0.0 112.133 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -48.85 11.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.038 1.735 . . . . 0.0 111.868 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.39 -40.65 97.81 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 118.977 0.808 . . . . 0.0 110.44 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 9' ' ' TYR . 31.3 mt -53.73 -64.52 0.8 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 126.599 1.96 . . . . 0.0 106.901 -176.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -44.58 72.54 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.305 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -72.31 -2.54 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.684 1.129 . . . . 0.0 112.96 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.5 -50.59 2.94 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 127.838 2.455 . . . . 0.0 108.161 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -73.67 -31.36 63.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.49 -0.756 . . . . 0.0 109.391 -178.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.35 -30.66 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.929 168.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.58 -56.04 8.44 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.441 1.096 . . . . 0.0 110.41 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.2 mmmt -53.43 -59.98 3.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -45.62 -47.07 14.79 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 116.401 -1.761 . . . . 0.0 112.787 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -67.33 -54.47 20.34 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 116.414 -1.755 . . . . 0.0 108.634 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -44.54 -41.75 6.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 121.068 1.758 . . . . 0.0 111.548 -173.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 47' ' ' LYS . 39.2 tp -54.47 -55.48 28.52 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.564 -1.335 . . . . 0.0 112.18 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.6 mmm -68.31 -21.37 64.77 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.52 -42.38 9.74 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 124.588 1.155 . . . . 0.0 108.362 -172.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 HG21 ' A' ' 46' ' ' THR . 74.3 mt -67.86 -40.56 83.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.326 -1.484 . . . . 0.0 108.544 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -58.79 -27.75 65.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.325 -1.485 . . . . 0.0 111.529 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -79.4 -27.62 41.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.495 1.118 . . . . 0.0 110.935 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.43 -32.83 70.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 121.751 2.069 . . . . 0.0 106.995 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HD22 ' A' ' 37' ' ' LEU . 15.8 tp -70.44 -43.88 69.0 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 118.537 0.608 . . . . 0.0 110.802 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.21 68.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.435 0.694 . . . . 0.0 110.732 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -50.39 20.6 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 109.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 40.29 0.58 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.168 1.365 . . . . 0.0 111.482 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 -25.04 2.73 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.724 1.21 . . . . 0.0 110.706 -168.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD22 HD13 ' A' ' 32' ' ' LEU . 6.9 tt -52.41 148.15 7.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.563 1.145 . . . . 0.0 112.715 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -118.03 126.12 51.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.116 1.367 . . . . 0.0 107.745 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m120 47.0 98.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 130.082 3.353 . . . . 0.0 113.174 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.5 p -56.77 -21.06 25.68 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.819 -1.176 . . . . 0.0 112.215 172.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 m -53.86 -30.34 45.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.664 1.186 . . . . 0.0 111.883 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -43.01 39.46 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.912 1.285 . . . . 0.0 110.796 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -43.26 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.876 1.216 . . . . 0.0 110.499 171.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -55.67 13.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 127.174 2.19 . . . . 0.0 112.274 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.57 -37.91 79.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 126.094 1.757 . . . . 0.0 109.043 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.577 HG22 HD13 ' A' ' 50' ' ' ILE . 87.1 m -67.44 -46.54 72.81 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -173.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HD2' ' CD1' ' A' ' 25' ' ' LEU 0.304 0.0 OUTLIER -60.42 -33.52 72.64 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 118.883 -2.386 . . . . 0.0 115.187 175.591 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -62.45 -47.1 85.53 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.7 -35.27 52.28 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.121 0.888 . . . . 0.0 110.054 -170.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -55.58 -50.82 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 169.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.74 37.08 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.101 -1.039 . . . . 0.0 112.72 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -65.16 1.05 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.871 2.068 . . . . 0.0 108.745 167.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 21' ' ' LYS . 4.0 mp -58.05 -54.31 33.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 O-C-N 121.186 -0.946 . . . . 0.0 111.911 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.668 1.576 . . . . 0.0 110.28 -176.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 m -62.14 -39.41 92.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.487 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.74 -39.9 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.251 1.841 . . . . 0.0 109.954 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.99 -49.65 76.1 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.06 -42.27 98.17 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.027 0.931 . . . . 0.0 110.241 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.68 -26.54 56.81 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.548 1.539 . . . . 0.0 112.621 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mtp-105 -94.9 -16.78 22.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.627 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -68.91 -63.83 0.99 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.78 -16.46 58.36 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.531 1.514 . . . . 0.0 113.062 -172.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.51 68.84 1.48 Allowed Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -168.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 CA--C 1.535 0.377 0 C-N-CA 124.492 1.117 . . . . 0.0 110.163 173.646 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -40.14 -31.68 0.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 120.311 1.414 . . . . 0.0 112.985 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.99 -28.16 39.52 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -101.89 -43.1 5.91 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 125.053 1.341 . . . . 0.0 110.598 -171.05 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -11.31 43.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.827 0.739 . . . . 0.0 110.61 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -9.67 58.76 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 116.438 -1.744 . . . . 0.0 113.178 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.681 ' HB2' HD13 ' A' ' 14' ' ' LEU . 80.0 m-85 -84.98 168.98 14.46 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.469 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 49.9 p -95.7 155.91 16.55 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-O 116.021 -1.943 . . . . 0.0 107.084 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -33.64 -44.39 0.15 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 129.353 3.061 . . . . 0.0 112.06 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.77 -47.96 23.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.761 -1.108 . . . . 0.0 113.729 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' H ' ' A' ' 10' ' ' THR . 13.3 mt-10 -64.7 -31.8 73.18 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.08 172.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -57.62 -65.55 0.61 Allowed 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 179.435 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -41.85 76.03 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 120.536 1.517 . . . . 0.0 110.599 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.8 -7.62 35.79 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.56 -43.78 5.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 127.512 2.325 . . . . 0.0 107.602 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD22 HG23 ' A' ' 53' ' ' ILE . 1.7 mt -83.7 -25.74 30.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 120.881 -1.137 . . . . 0.0 109.961 -168.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -41.57 95.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.638 162.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -69.63 -45.82 67.63 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.261 1.024 . . . . 0.0 110.548 -173.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.79 -58.17 9.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -45.92 49.23 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.164 1.802 . . . . 0.0 112.113 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -66.83 -44.91 79.85 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 116.816 -1.564 . . . . 0.0 111.729 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -48.8 -49.89 36.82 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 119.97 1.259 . . . . 0.0 108.69 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.66 -53.46 30.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.632 0.651 . . . . 0.0 111.251 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttt -57.73 -32.21 67.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.818 1.647 . . . . 0.0 114.4 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.57 -40.66 10.66 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.204 1.001 . . . . 0.0 110.723 -172.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 46' ' ' THR . 94.8 mt -59.49 -46.97 87.28 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.343 1.057 . . . . 0.0 109.504 170.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.14 -22.62 64.86 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.634 -1.291 . . . . 0.0 112.313 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.76 -31.7 52.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.674 1.19 . . . . 0.0 110.202 173.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -74.96 -33.75 61.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 121.413 1.915 . . . . 0.0 107.059 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.71 -54.72 43.75 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 124.182 0.993 . . . . 0.0 111.058 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.62 -36.24 69.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.916 0.886 . . . . 0.0 110.498 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.5 mmt -75.26 -12.33 60.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.367 1.067 . . . . 0.0 112.496 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.3 13.5 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 127.854 2.645 . . . . 0.0 111.431 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.73 -23.53 8.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.678 1.239 . . . . 0.0 111.57 -165.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 43' ' ' ILE . 3.2 tt -82.62 115.58 21.64 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.837 1.255 . . . . 0.0 111.741 172.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -24.78 -77.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -172.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -160.3 44.1 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.132 0.573 . . . . 0.0 110.437 -167.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.6 p 53.09 -8.82 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 128.482 2.713 . . . . 0.0 117.62 -175.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -57.02 -42.3 80.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 120.742 1.61 . . . . 0.0 110.385 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.96 0.904 . . . . 0.0 109.348 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -57.75 -43.7 84.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 119.27 0.941 . . . . 0.0 110.749 173.238 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -44.05 86.81 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 120.499 1.499 . . . . 0.0 109.295 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.55 -17.47 62.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.83 1.652 . . . . 0.0 112.917 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.489 HG21 HD12 ' A' ' 28' ' ' LEU . 3.5 m -83.47 -54.79 4.7 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 170.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -49.46 -42.9 44.42 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.188 2.195 . . . . 0.0 112.911 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.92 70.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 119.304 0.956 . . . . 0.0 111.268 176.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -38.15 48.13 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.91 -41.52 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 120.901 1.682 . . . . 0.0 108.915 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.2 80.25 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.605 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -59.98 4.35 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.043 1.292 . . . . 0.0 111.919 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.736 HG23 HD22 ' A' ' 18' ' ' LEU . 3.1 mp -55.53 -54.43 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 124.933 1.293 . . . . 0.0 111.269 177.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -35.0 78.24 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.975 -1.703 . . . . 0.0 109.257 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -56.52 -44.68 81.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 116.622 -1.656 . . . . 0.0 110.047 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -50.59 -55.59 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 116.518 -1.706 . . . . 0.0 107.547 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tt -55.31 -49.06 73.13 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 119.645 1.111 . . . . 0.0 108.997 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -47.26 74.27 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.316 0.962 . . . . 0.0 111.489 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.57 -38.99 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.084 0.954 . . . . 0.0 110.93 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -70.67 -26.57 63.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.224 1.01 . . . . 0.0 112.031 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.94 -52.47 49.48 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -20.8 46.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.37 0.986 . . . . 0.0 112.471 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.79 18.36 54.65 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.038 -0.868 . . . . 0.0 113.52 -173.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 125.784 1.634 . . . . 0.0 111.433 -179.642 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.489 ' CB ' HD11 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 9.7 p -40.43 -27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.062 0.851 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 7.7 pt-20 -89.38 -41.3 12.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HG13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -72.12 -49.64 34.4 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.655 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -76.1 -0.08 20.64 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.485 177.772 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 4' ' ' SER . 1.4 t30 -75.52 -4.75 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 109.582 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' A' ' 17' ' ' LEU . 70.3 m-85 -104.27 167.4 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 111.58 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 p -85.23 148.8 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER -38.17 -50.52 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.838 0.711 . . . . 0.0 109.382 -179.563 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -59.45 -44.31 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.255 0.972 . . . . 0.0 110.651 179.357 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.33 -43.36 77.69 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.106 0.879 . . . . 0.0 110.457 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.538 ' CD1' ' CG ' ' A' ' 14' ' ' LEU . 1.7 mm? -42.74 -67.25 0.29 Allowed 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.044 0.84 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -53.57 -41.93 67.04 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.999 0.812 . . . . 0.0 109.168 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 2.2 t30 -68.4 -5.58 19.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.162 0.914 . . . . 0.0 109.36 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -108.84 -36.92 6.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -83.37 -42.4 17.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.06 0.85 . . . . 0.0 108.952 -179.1 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.71 -28.95 36.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.196 0.935 . . . . 0.0 110.193 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 10.8 tt0 -80.11 -32.2 39.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.248 0.968 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.852 ' HE2' HD13 ' A' ' 53' ' ' ILE . 26.8 mmmt -76.15 -56.13 4.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -57.68 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.296 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -59.41 -45.03 92.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.35 1.031 . . . . 0.0 110.118 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.463 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -44.51 -58.51 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.052 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -47.93 -50.96 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.942 0.776 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 tpt -64.96 -24.91 67.66 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.589 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -84.56 -33.86 23.36 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.987 0.804 . . . . 0.0 109.852 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.735 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -71.24 -50.11 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.573 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -58.17 -28.58 64.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.22 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.1 -29.36 66.3 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -72.88 -51.01 20.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.19 0.931 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.755 ' CD2' HG22 ' A' ' 40' ' ' THR . 13.9 tp -55.33 -51.98 64.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.06 0.85 . . . . 0.0 109.646 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.81 -31.89 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.789 1.306 . . . . 0.0 109.526 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.108 0.88 . . . . 0.0 111.191 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.91 45.05 1.14 Allowed Glycine 0 C--O 1.223 -0.575 0 O-C-N 124.229 0.955 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -121.97 -38.29 2.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.064 0.508 . . . . 0.0 110.13 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 28' ' ' LEU . 1.4 tt -46.72 166.51 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.097 0.873 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.682 ' N ' HD23 ' A' ' 37' ' ' LEU . 4.3 tttm -123.64 79.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.053 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.03 121.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.272 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.755 HG22 ' CD2' ' A' ' 32' ' ' LEU . 44.8 p -54.79 -28.16 47.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.222 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -39.86 -35.94 0.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 42' ' ' LEU . 7.6 tt -64.68 -53.32 49.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.718 1.261 . . . . 0.0 109.299 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -50.0 -61.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.02 0.825 . . . . 0.0 109.199 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.7 -38.84 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.078 0.861 . . . . 0.0 109.182 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 45' ' ' LEU . 12.2 mt -72.35 -39.97 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.166 0.916 . . . . 0.0 109.583 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.752 HG22 HD13 ' A' ' 50' ' ' ILE . 1.5 m -70.2 -36.84 74.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 123.784 0.678 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 42.6 tptt -63.43 -55.22 26.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.02 0.825 . . . . 0.0 108.971 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 4.3 ptm180 -44.56 -33.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.841 ' O ' HD12 ' A' ' 53' ' ' ILE . 2.1 m-20 -87.99 -34.31 18.09 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.612 1.195 . . . . 0.0 108.852 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 46' ' ' THR . 0.3 OUTLIER -66.21 -48.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.4 70.71 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.68 -50.78 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.514 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.009 HG23 HD22 ' A' ' 18' ' ' LEU . 1.4 mp -67.18 -51.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.83 -17.27 22.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 123.849 0.718 . . . . 0.0 109.359 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -82.74 -42.33 18.14 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.291 0.994 . . . . 0.0 110.446 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.773 HG13 HD23 ' A' ' 6' ' ' LEU . 2.2 mm -47.14 -49.14 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.35 1.031 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.936 ' HB2' HD12 ' A' ' 18' ' ' LEU . 3.6 tp -56.33 -52.37 64.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.357 1.035 . . . . 0.0 109.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.6 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -54.35 -36.55 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.82 0.7 . . . . 0.0 110.334 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.11 -36.93 83.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.295 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -95.5 0.35 53.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.561 ' C ' HD13 ' A' ' 62' ' ' LEU . 4.9 mt-10 -74.72 -50.56 17.04 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.221 0.951 . . . . 0.0 109.51 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.891 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -89.64 -60.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 108.732 -178.559 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.32 42.82 0.02 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.9 mm . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.51 152.97 37.04 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 120.414 1.461 . . . . 0.0 111.121 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.541 2.337 . . . . 0.0 108.702 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m 49.47 -70.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 127.73 2.412 . . . . 0.0 109.406 -141.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.86 -51.1 71.01 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.135 1.374 . . . . 0.0 109.178 -166.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.42 -13.71 62.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.24 -12.16 18.2 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 119.812 1.187 . . . . 0.0 112.923 165.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -84.46 -23.84 29.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.27 1.428 . . . . 0.0 112.171 -170.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.7 m-85 -58.41 162.55 3.63 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 118.924 0.784 . . . . 0.0 110.249 171.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 p -80.58 163.68 23.49 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.4 -0.813 . . . . 0.0 109.668 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 m-20 -57.05 -26.9 61.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.476 1.489 . . . . 0.0 112.76 -172.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.65 -39.4 31.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.732 2.013 . . . . 0.0 112.429 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.9 -46.64 65.0 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.005 -1.059 . . . . 0.0 110.757 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' ASP . 33.1 mt -53.85 -57.89 9.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.937 1.695 . . . . 0.0 108.347 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -50.61 59.95 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.221 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.36 -11.79 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.53 -46.68 4.68 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.071 0.939 . . . . 0.0 108.874 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -75.1 -31.26 61.11 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.222 -173.229 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -57.0 -42.41 80.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.154 0.909 . . . . 0.0 109.893 165.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.49 -48.51 74.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.166 0.987 . . . . 0.0 109.804 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.5 mmmt -55.88 -62.12 1.91 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 125.546 1.539 . . . . 0.0 108.255 171.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -47.61 -50.23 24.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 116.593 -1.67 . . . . 0.0 112.463 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -60.14 -55.78 29.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.162 1.347 . . . . 0.0 109.567 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.38 -49.55 13.0 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 126.359 1.863 . . . . 0.0 111.083 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.9 tm? -56.14 -50.57 70.74 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.8 mtt -64.72 -28.55 69.67 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.759 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -84.75 -35.83 22.17 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.673 1.124 . . . . 0.0 109.091 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.02 -49.26 70.87 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.06 0.944 . . . . 0.0 109.093 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -57.04 -36.67 70.76 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.016 -1.052 . . . . 0.0 111.115 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.87 -26.67 67.75 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.254 1.021 . . . . 0.0 111.374 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -81.06 -36.0 31.06 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 120.895 1.68 . . . . 0.0 108.091 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.6 -53.45 34.26 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.719 1.207 . . . . 0.0 109.754 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.36 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.509 1.924 . . . . 0.0 111.942 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp -82.55 -74.59 0.34 Allowed 'General case' 0 N--CA 1.432 -1.349 0 C-N-CA 123.07 0.548 . . . . 0.0 111.46 161.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.33 49.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.486 0 C-N-CA 124.956 1.265 . . . . 0.0 111.957 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -120.73 -60.1 1.69 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.146 1.778 . . . . 0.0 108.664 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 38' ' ' LYS . 14.3 tp -62.75 144.59 56.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.174 0.99 . . . . 0.0 109.07 171.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' H ' HD12 ' A' ' 37' ' ' LEU . 55.8 tttt -141.5 -24.62 0.71 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -86.73 101.59 13.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.589 1.086 . . . . 0.0 109.955 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.2 p -81.93 -21.49 37.25 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 120.892 -1.13 . . . . 0.0 113.337 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 m -60.4 -38.92 85.5 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 119.224 0.92 . . . . 0.0 109.303 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.07 -49.68 74.97 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.35 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 119.675 1.125 . . . . 0.0 110.306 173.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.9 85.21 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.332 1.053 . . . . 0.0 112.943 -170.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.52 -43.68 89.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.641 2.376 . . . . 0.0 109.674 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 50' ' ' ILE . 45.2 m -61.9 -42.43 99.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HD3' HD21 ' A' ' 25' ' ' LEU . 5.3 mmmm -54.56 -42.62 71.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 121.392 1.906 . . . . 0.0 114.063 173.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -45.91 90.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -174.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -82.53 -33.77 28.09 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.576 -173.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.465 HD13 HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -52.97 -50.06 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.293 0 O-C-N 119.891 -1.755 . . . . 0.0 107.776 166.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.01 73.33 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.089 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -55.72 -57.64 11.16 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 120.555 1.525 . . . . 0.0 113.145 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.507 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.1 mt -54.03 -55.85 12.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.449 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.64 67.22 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.153 -1.592 . . . . 0.0 110.406 -176.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -62.76 -47.76 82.11 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.336 164.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mm -51.63 -49.85 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 120.887 1.676 . . . . 0.0 108.191 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -54.22 -53.07 58.6 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.175 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -56.23 11.12 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.302 0.956 . . . . 0.0 110.668 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.01 -40.03 63.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.277 1.431 . . . . 0.0 109.589 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -70.51 -29.33 65.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.544 0.737 . . . . 0.0 112.009 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -62.35 -55.48 27.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.051 0.94 . . . . 0.0 109.336 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -23.33 50.95 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.168 1.349 . . . . 0.0 113.811 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.78 2.95 14.19 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.717 -1.046 . . . . 0.0 113.818 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mm -73.67 -19.02 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 120.276 2.038 . . . . 0.0 110.433 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -136.56 47.19 2.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 110.076 -176.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 129.084 2.954 . . . . 0.0 111.154 -176.441 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -63.96 156.45 27.84 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.012 -1.68 . . . . 0.0 109.502 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.92 1.76 26.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 115.72 -2.086 . . . . 0.0 111.495 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 m -46.21 -39.62 10.07 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 122.074 2.215 . . . . 0.0 110.892 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.35 -60.72 2.88 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.713 1.605 . . . . 0.0 112.947 172.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.68 -47.03 61.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 125.547 1.539 . . . . 0.0 109.637 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.78 63.33 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.888 0.875 . . . . 0.0 111.247 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -19.74 60.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 118.224 -0.893 . . . . 0.0 112.644 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.268 38.5 m-85 -65.86 161.22 21.57 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 119.616 1.098 . . . . 0.0 109.405 -178.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.63 160.59 25.02 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.19 -35.63 60.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.66 1.573 . . . . 0.0 112.272 -171.282 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.09 -51.28 40.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.549 1.54 . . . . 0.0 112.197 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.37 -37.9 89.05 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.075 -1.015 . . . . 0.0 111.868 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 11' ' ' ASP . 32.4 mt -53.48 -65.61 0.53 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.464 1.505 . . . . 0.0 107.367 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -41.96 79.98 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 116.911 -1.518 . . . . 0.0 111.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -65.11 -15.4 62.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 120.367 1.44 . . . . 0.0 113.163 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.39 -43.49 5.92 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.582 HD22 HG23 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -77.97 -28.98 49.55 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -172.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -59.81 -36.38 76.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.904 164.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.0 -51.5 61.32 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.772 0.715 . . . . 0.0 110.789 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE2' HD13 ' A' ' 53' ' ' ILE . 25.4 mmmt -56.77 -56.95 15.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 120.547 -1.346 . . . . 0.0 107.512 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -48.21 -42.73 30.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 115.964 -1.97 . . . . 0.0 113.76 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -70.3 -50.36 40.16 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.836 2.107 . . . . 0.0 110.044 173.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -45.98 -44.93 15.39 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 126.87 2.068 . . . . 0.0 111.046 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.47 -54.88 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.001 -1.062 . . . . 0.0 111.752 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 53.1 mtt -65.7 -26.89 67.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.229 0.612 . . . . 0.0 112.368 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.56 -36.52 22.07 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.115 2.166 . . . . 0.0 111.077 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.59 -51.81 13.52 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -54.71 -31.87 58.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.473 0.578 . . . . 0.0 110.645 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -67.59 -36.27 80.56 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.404 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -77.9 -20.94 52.0 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 121.709 2.05 . . . . 0.0 108.491 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.93 -55.72 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.351 1.06 . . . . 0.0 110.429 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.44 20.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.632 1.973 . . . . 0.0 111.649 176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -75.8 0.19 Allowed 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 124.036 0.934 . . . . 0.0 109.425 165.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.3 31.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 114.731 0.653 . . . . 0.0 114.731 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -112.95 -37.01 4.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.538 2.735 . . . . 0.0 109.498 -164.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.68 123.88 22.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.039 1.736 . . . . 0.0 109.81 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -70.59 -36.26 73.47 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -166.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -155.84 162.46 40.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.453 1.479 . . . . 0.0 111.252 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -102.8 -13.14 17.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -63.36 -31.4 72.54 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 120.113 1.324 . . . . 0.0 110.534 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.94 -56.32 20.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.95 -44.58 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.631 0.772 . . . . 0.0 110.856 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -43.11 95.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.144 0.978 . . . . 0.0 112.441 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -30.49 70.06 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.884 1.674 . . . . 0.0 107.658 174.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HD13 ' A' ' 50' ' ' ILE . 3.4 m -66.29 -54.46 24.5 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.68 -1.263 . . . . 0.0 108.509 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.426 0.0 OUTLIER -57.42 -23.64 50.71 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.357 1.89 . . . . 0.0 114.98 176.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -70.38 -48.58 55.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.606 1.548 . . . . 0.0 107.899 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.54 77.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.653 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.93 -50.91 76.3 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 119.755 1.161 . . . . 0.0 107.952 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.67 -4.75 32.99 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 119.077 0.853 . . . . 0.0 112.457 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -64.47 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.217 1.407 . . . . 0.0 108.903 165.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.582 HG23 HD22 ' A' ' 18' ' ' LEU . 2.0 mp -54.01 -54.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 125.403 1.481 . . . . 0.0 112.061 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -23.06 67.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 119.193 0.906 . . . . 0.0 111.248 -175.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -76.2 -43.25 43.26 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.584 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mm -46.35 -49.32 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.716 1.598 . . . . 0.0 111.467 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -52.57 -59.4 4.49 Favored 'General case' 0 C--O 1.223 -0.313 0 O-C-N 124.426 1.079 . . . . 0.0 108.424 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -50.0 59.49 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.252 1.421 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.22 -37.96 56.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.844 1.258 . . . . 0.0 111.911 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -69.8 -35.28 74.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.31 -55.18 36.83 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 125.524 1.765 . . . . 0.0 108.986 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -54.61 12.31 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.035 0.38 . . . . 0.0 111.3 -174.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.11 -3.75 0.58 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 -161.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm -75.94 -29.18 19.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 119.381 1.59 . . . . 0.0 110.628 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -133.04 75.01 1.6 Allowed 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 112.46 -2.155 . . . . 0.0 108.442 169.018 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 120.75 0.309 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -89.16 152.87 21.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.754 1.221 . . . . 0.0 108.817 170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -121.13 -75.33 0.59 Allowed 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.825 1.25 . . . . 0.0 108.351 169.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 m 62.82 -60.82 0.13 Allowed 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 127.386 2.274 . . . . 0.0 110.248 -147.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.92 -46.69 42.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.921 1.343 . . . . 0.0 109.847 -166.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 28.6 mt -81.16 -9.99 59.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.624 1.169 . . . . 0.0 111.962 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -3.64 39.77 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.33 -1.481 . . . . 0.0 110.639 165.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.2 -37.84 23.09 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 117.115 -1.421 . . . . 0.0 110.518 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.871 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.336 14.1 m-85 -73.25 172.13 11.73 Favored 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 124.086 0.866 . . . . 0.0 110.42 -174.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' HD22 ' A' ' 14' ' ' LEU . 68.7 p -84.55 150.89 24.92 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -38.32 -38.34 0.35 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.207 1.803 . . . . 0.0 110.303 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.9 -41.38 91.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.06 1.744 . . . . 0.0 113.835 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.74 -39.58 35.8 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.35 1.86 . . . . 0.0 111.019 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.871 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -53.92 -66.59 0.37 Allowed 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 125.467 1.507 . . . . 0.0 107.831 173.573 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -45.85 29.5 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.783 1.628 . . . . 0.0 111.119 -174.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -68.19 -14.87 63.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.0 -44.72 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.527 1.531 . . . . 0.0 108.829 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.73 -32.59 57.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -171.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.51 -36.76 71.97 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.209 0.943 . . . . 0.0 110.294 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.49 -51.01 65.18 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 122.983 0.513 . . . . 0.0 109.766 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.6 mmmt -59.23 -56.87 16.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -46.94 -47.57 21.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 116.848 -1.548 . . . . 0.0 111.811 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -66.08 -53.33 39.59 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 119.436 1.017 . . . . 0.0 111.122 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.02 -41.6 59.91 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 119.833 1.197 . . . . 0.0 111.402 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 tp -53.57 -52.64 59.09 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.081 1.31 . . . . 0.0 110.836 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.4 mtp -65.88 -24.85 66.95 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.764 0.825 . . . . 0.0 113.086 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.24 -40.32 10.5 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.816 -1.177 . . . . 0.0 109.418 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.61 -38.61 91.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 119.915 -1.74 . . . . 0.0 109.786 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm85 -65.35 -23.69 67.06 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.251 -0.906 . . . . 0.0 111.274 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -73.79 -36.97 65.08 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.274 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -76.01 -34.22 59.7 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 121.297 1.862 . . . . 0.0 107.125 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.4 tm? -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.777 1.631 . . . . 0.0 111.129 172.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.09 69.45 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.636 1.174 . . . . 0.0 111.318 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -74.11 -26.31 60.27 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.756 0.822 . . . . 0.0 111.679 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.36 19.0 8.65 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 126.409 1.957 . . . . 0.0 114.235 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -111.8 -28.35 8.11 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 119.535 1.668 . . . . 0.0 111.985 -163.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 84.94 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.89 2.076 . . . . 0.0 111.24 172.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -84.33 -2.66 57.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.451 -165.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -127.59 96.61 4.59 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 120.256 1.389 . . . . 0.0 109.7 166.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -61.87 -20.65 63.94 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 m -62.72 -29.66 70.84 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 119.727 1.148 . . . . 0.0 111.889 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.52 -46.69 87.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.178 0.899 . . . . 0.0 108.817 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.63 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 118.613 0.642 . . . . 0.0 109.433 173.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -40.72 70.52 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.317 1.047 . . . . 0.0 112.252 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.76 -32.91 70.22 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.596 1.558 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 HD13 ' A' ' 50' ' ' ILE . 85.3 m -72.41 -49.16 35.78 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.002 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER -56.85 -29.12 62.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 122.445 2.384 . . . . 0.0 115.45 174.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -65.58 -39.56 91.75 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.28 -33.51 16.1 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.557 -1.211 . . . . 0.0 108.952 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -54.83 -53.99 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -25.06 65.73 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 117.811 -1.555 . . . . 0.0 111.069 -169.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -58.69 3.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.711 1.204 . . . . 0.0 111.165 170.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.421 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.1 mt -57.1 -58.48 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 C-N-CA 126.256 1.823 . . . . 0.0 110.836 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -30.97 67.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.832 0.742 . . . . 0.0 110.507 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.8 m -67.45 -34.96 78.27 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.68 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mm -54.29 -49.53 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 122.15 2.25 . . . . 0.0 109.569 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.46 -56.19 14.64 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -47.33 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.005 0.922 . . . . 0.0 111.696 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.74 -38.45 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.339 0.656 . . . . 0.0 110.751 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' HB3' HH11 ' A' ' 60' ' ' ARG . 0.0 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.487 0.715 . . . . 0.0 111.182 176.619 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.111 0.965 . . . . 0.0 110.739 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.19 -11.67 37.64 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.992 0.815 . . . . 0.0 112.027 178.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.34 43.99 18.6 Favored Glycine 0 N--CA 1.451 -0.32 0 O-C-N 121.387 -0.821 . . . . 0.0 112.951 -170.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -80.64 -30.62 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 C-N-CA 125.061 1.345 . . . . 0.0 109.485 163.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -110.08 26.51 10.59 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.965 1.706 . . . . 0.0 110.301 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 . . . . . 0 C--O 1.245 0.825 0 C-N-CA 128.66 2.784 . . . . 0.0 111.673 -176.329 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -58.2 -37.31 74.55 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.723 1.209 . . . . 0.0 111.498 -175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.24 -64.76 1.2 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.998 1.719 . . . . 0.0 108.446 155.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m 32.82 -71.11 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 127.82 2.448 . . . . 0.0 110.077 -124.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 125.751 1.62 . . . . 0.0 111.596 -157.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 56' ' ' ILE . 7.2 mp -76.12 -1.74 27.58 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.455 -1.403 . . . . 0.0 113.256 176.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -108.78 -9.76 15.19 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 118.919 -2.363 . . . . 0.0 110.582 164.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -81.48 -32.84 32.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 117.503 -1.237 . . . . 0.0 111.193 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.897 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.292 96.5 m-85 -65.32 174.16 2.24 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 120.199 1.363 . . . . 0.0 111.535 -176.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 p -78.2 147.88 34.27 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 160.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.26 -33.11 1.47 Allowed 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.666 1.986 . . . . 0.0 112.713 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.92 -47.77 61.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.268 1.427 . . . . 0.0 113.749 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -66.86 -32.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.762 1.225 . . . . 0.0 111.342 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.3 mm? -60.77 -65.95 0.61 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -42.91 72.97 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 120.595 1.543 . . . . 0.0 110.45 -173.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -67.89 -6.0 19.59 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -109.32 -44.66 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.134 1.374 . . . . 0.0 108.562 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -73.81 -32.86 63.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.212 0.605 . . . . 0.0 109.675 -175.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.9 -36.43 67.66 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.317 0.647 . . . . 0.0 110.137 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.28 -41.21 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.107 0.479 . . . . 0.0 110.322 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 53' ' ' ILE . 27.3 mmmt -60.42 -62.8 1.6 Allowed 'General case' 0 N--CA 1.443 -0.825 0 O-C-N 120.113 -1.617 . . . . 0.0 108.302 172.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -40.12 57.46 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.507 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -69.83 -50.35 43.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.511 1.505 . . . . 0.0 111.081 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.55 -40.42 51.86 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 125.194 1.397 . . . . 0.0 109.462 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.23 -47.85 69.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 120.985 -1.072 . . . . 0.0 112.848 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.3 mtt -66.42 -4.86 9.1 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.842 172.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -35.31 7.11 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.396 0.617 . . . . 0.0 111.125 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.82 -36.52 80.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 119.347 -2.096 . . . . 0.0 108.351 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -59.04 -33.78 71.17 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.275 -1.516 . . . . 0.0 111.81 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -35.87 73.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.936 1.294 . . . . 0.0 110.726 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.68 -41.74 75.04 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 120.433 1.47 . . . . 0.0 107.881 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.1 tm? -61.56 -53.05 61.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.241 0.616 . . . . 0.0 109.833 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -14.77 35.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.522 1.129 . . . . 0.0 112.806 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -40.55 12.55 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.473 1.109 . . . . 0.0 111.265 168.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.97 26.87 1.31 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 127.938 2.685 . . . . 0.0 113.564 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -118.83 -20.25 8.27 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.941 1.37 . . . . 0.0 111.936 -160.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 109.78 0.75 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.475 1.51 . . . . 0.0 114.061 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -58.44 85.5 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.421 2.288 . . . . 0.0 112.832 166.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 m120 61.54 123.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.803 2.841 . . . . 0.0 112.495 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -9.99 12.46 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 119.553 -1.967 . . . . 0.0 113.705 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -49.63 -39.5 36.12 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 120.897 -1.127 . . . . 0.0 111.986 162.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -48.75 80.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.777 1.231 . . . . 0.0 109.127 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -53.91 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 171.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -43.66 84.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.745 1.157 . . . . 0.0 112.386 -174.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.43 -34.08 75.35 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 125.795 1.638 . . . . 0.0 109.168 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.518 HG22 HD13 ' A' ' 50' ' ' ILE . 93.3 m -74.37 -42.89 58.55 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.21 -47.29 65.72 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.034 -1.666 . . . . 0.0 111.894 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -56.63 -37.2 70.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 110.349 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.88 -31.78 18.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.135 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.63 -54.02 40.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 107.586 174.568 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.41 65.04 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.458 -170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -60.76 2.25 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.076 1.75 . . . . 0.0 109.623 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.565 HD13 ' HG3' ' A' ' 21' ' ' LYS . 28.5 mt -60.45 -52.4 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.557 1.543 . . . . 0.0 112.042 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.68 67.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.895 0.77 . . . . 0.0 110.271 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -62.96 -44.54 95.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 117.092 -1.432 . . . . 0.0 110.822 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 6' ' ' LEU . 1.8 mm -49.69 -47.52 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.628 1.558 . . . . 0.0 111.149 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -54.6 -53.91 48.35 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -48.76 63.82 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.96 -1.088 . . . . 0.0 112.463 174.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.51 -31.42 66.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.048 0.939 . . . . 0.0 111.493 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -69.25 -34.17 74.37 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.482 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.37 -61.3 2.31 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 118.522 -0.752 . . . . 0.0 109.543 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.7 176.74 7.43 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.03 17.06 1.4 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.127 -1.608 . . . . 0.0 116.545 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.7 mm -77.49 -32.42 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 120.399 2.099 . . . . 0.0 112.57 -166.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -108.12 55.19 0.65 Allowed 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 -169.297 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.431 -1.412 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 151.084 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -145.45 154.22 42.02 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.578 1.535 . . . . 0.0 110.84 -161.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.91 -70.89 0.76 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.398 1.479 . . . . 0.0 110.603 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m 44.81 -67.44 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 127.212 2.205 . . . . 0.0 110.141 -127.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -65.67 -44.62 85.73 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.206 -157.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 HG13 ' A' ' 56' ' ' ILE . 2.2 mp -75.54 -9.2 58.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.846 1.658 . . . . 0.0 112.061 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.7 -5.21 29.2 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.59 1.156 . . . . 0.0 111.469 167.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.29 -27.74 20.34 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -164.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.654 ' HB2' HD13 ' A' ' 14' ' ' LEU . 84.1 m-85 -81.84 174.69 11.07 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' HD22 ' A' ' 14' ' ' LEU . 31.9 p -77.52 157.75 30.23 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 120.611 -1.306 . . . . 0.0 108.115 170.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.59 -33.03 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 128.096 2.558 . . . . 0.0 113.673 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -88.4 -29.83 19.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.43 -36.51 60.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 109.565 167.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -56.07 -63.05 1.31 Allowed 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 129.5 3.12 . . . . 0.0 104.815 177.124 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -46.06 85.3 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.784 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.85 -10.57 39.33 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.146 1.339 . . . . 0.0 113.7 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.14 -50.76 4.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.735 1.255 . . . . 0.0 108.061 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -78.52 -20.51 50.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.881 0.872 . . . . 0.0 110.725 -166.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.2 -38.52 85.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.339 1.456 . . . . 0.0 109.596 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.66 -46.14 63.79 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.425 1.012 . . . . 0.0 110.409 -170.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.67 ' HG3' HD13 ' A' ' 53' ' ' ILE . 2.5 mmmm -54.39 -58.93 5.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -45.81 -45.72 14.99 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 116.922 -1.513 . . . . 0.0 113.543 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -70.44 -49.41 48.98 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 121.921 2.146 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -47.19 -47.34 24.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 110.364 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 47' ' ' LYS . 9.2 tp -50.63 -58.27 6.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.407 0.548 . . . . 0.0 110.549 176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.2 -40.97 71.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.783 0.833 . . . . 0.0 111.788 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.46 -36.21 39.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.799 1.285 . . . . 0.0 108.559 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mp -69.6 -44.19 71.26 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.432 -0.793 . . . . 0.0 109.889 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -63.07 -27.31 69.31 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.509 -1.369 . . . . 0.0 111.794 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.77 -45.46 71.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.252 1.821 . . . . 0.0 110.766 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.21 -40.28 93.94 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 120.61 1.55 . . . . 0.0 107.724 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.9 tm? -56.33 -54.43 45.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.622 1.169 . . . . 0.0 110.529 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -40.62 81.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.14 1.376 . . . . 0.0 111.593 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -42.88 82.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.462 0.305 . . . . 0.0 111.072 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.47 41.28 0.33 Allowed Glycine 0 N--CA 1.44 -1.033 0 C-N-CA 127.389 2.423 . . . . 0.0 113.33 166.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -119.68 -25.76 5.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.575 1.187 . . . . 0.0 112.843 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -65.1 0.74 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 43.87 178.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.78 1.632 . . . . 0.0 112.263 -158.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 65.98 -53.55 0.39 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.028 2.131 . . . . 0.0 114.644 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p 65.95 -11.9 0.19 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.323 3.449 . . . . 0.0 116.163 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -48.97 -46.28 43.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 119.455 1.025 . . . . 0.0 111.153 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.91 -44.73 76.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.801 -0.619 . . . . 0.0 109.367 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.35 -46.79 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 119.337 0.971 . . . . 0.0 111.097 170.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.52 96.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 120.265 1.393 . . . . 0.0 110.139 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -33.12 74.97 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 121.168 -0.957 . . . . 0.0 108.595 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.605 HG22 HD13 ' A' ' 50' ' ' ILE . 28.4 m -65.3 -54.52 27.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.378 0.0 OUTLIER -51.53 -43.29 62.26 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 121.343 1.883 . . . . 0.0 115.297 178.601 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -59.22 -37.07 76.59 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.631 1.105 . . . . 0.0 110.324 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -87.54 -34.31 18.63 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 125.092 1.357 . . . . 0.0 108.471 -175.331 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.605 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -60.19 -53.63 46.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.06 16.6 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.902 -1.124 . . . . 0.0 112.966 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.513 HH11 HD22 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.73 -58.98 2.33 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.733 1.613 . . . . 0.0 110.658 165.108 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.67 HD13 ' HG3' ' A' ' 21' ' ' LYS . 6.2 mt -62.18 -56.19 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 126.681 1.992 . . . . 0.0 112.4 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -30.93 68.37 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.013 -1.054 . . . . 0.0 110.75 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -60.19 -52.2 66.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.725 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 6' ' ' LEU . 2.0 mm -51.14 -45.91 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.948 1.249 . . . . 0.0 110.077 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -54.65 30.43 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 124.039 0.837 . . . . 0.0 108.89 174.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.5 71.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.64 -43.56 62.67 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.263 1.025 . . . . 0.0 109.115 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -70.79 -34.87 72.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 117.98 -1.009 . . . . 0.0 113.421 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.54 -48.43 74.72 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.484 1.115 . . . . 0.0 108.827 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.05 -30.84 22.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.702 0.683 . . . . 0.0 111.623 -178.454 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.34 10.26 5.14 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.23 -31.82 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.384 1.592 . . . . 0.0 110.678 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.7 mmt-85 -120.3 31.17 6.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 124.241 1.016 . . . . 0.0 110.588 -164.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 . . . . . 0 N--CA 1.439 -0.984 0 O-C-N 125.216 1.573 . . . . 0.0 107.7 164.416 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 119.893 -0.098 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt 53.88 -169.02 0.06 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 126.22 1.808 . . . . 0.0 112.541 171.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.85 -70.74 0.76 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.897 1.679 . . . . 0.0 109.182 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m 44.47 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 127.424 2.289 . . . . 0.0 110.545 -127.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -50.15 -54.49 20.39 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 127.376 2.271 . . . . 0.0 110.61 -162.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.03 -43.42 67.94 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 125.769 1.628 . . . . 0.0 112.189 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.11 -21.29 61.5 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.345 0.975 . . . . 0.0 111.019 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -10.27 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.613 1.165 . . . . 0.0 113.138 -170.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' HB2' HD13 ' A' ' 14' ' ' LEU . 26.5 m-85 -77.52 172.89 12.66 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.474 1.034 . . . . 0.0 110.671 -173.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 14' ' ' LEU . 21.4 p -85.77 155.4 21.04 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.676 -1.155 . . . . 0.0 108.03 170.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.47 -33.66 9.79 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 122.002 2.183 . . . . 0.0 113.613 -173.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.75 -45.48 74.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.334 1.021 . . . . 0.0 111.858 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.54 -38.11 77.37 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.423 0.689 . . . . 0.0 110.705 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -55.24 -61.46 2.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.797 1.639 . . . . 0.0 107.131 -177.524 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -55.4 -42.86 74.64 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.539 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.3 -4.61 14.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 120.423 1.465 . . . . 0.0 113.482 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -53.68 4.58 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 120.158 -1.589 . . . . 0.0 107.946 163.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -88.93 -25.38 22.11 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.447 -0.783 . . . . 0.0 112.637 -158.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.42 70.97 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.027 2.131 . . . . 0.0 108.813 160.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -56.21 23.87 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 119.491 1.042 . . . . 0.0 110.325 -174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.8 mmmt -59.92 -52.28 66.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -45.39 -54.66 6.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.943 1.247 . . . . 0.0 111.794 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -60.62 -50.92 71.59 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.398 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.72 -55.31 9.81 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.474 1.11 . . . . 0.0 109.974 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.12 -49.53 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.752 1.614 . . . . 0.0 111.86 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 ttt -65.85 -31.32 72.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 125.816 1.646 . . . . 0.0 113.094 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -83.22 -36.97 24.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 109.823 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 HG21 ' A' ' 46' ' ' THR . 99.4 mt -68.81 -46.06 69.62 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.116 1.767 . . . . 0.0 109.292 176.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.22 -33.26 72.01 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.483 -1.386 . . . . 0.0 110.31 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.46 -30.29 70.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.328 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.53 -41.82 62.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 121.188 1.813 . . . . 0.0 108.458 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.85 -52.93 63.33 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.259 1.024 . . . . 0.0 110.729 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.28 -14.43 55.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.883 0.873 . . . . 0.0 111.833 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.15 -10.15 26.5 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.68 1.127 . . . . 0.0 112.892 168.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.7 36.76 13.01 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 128.169 2.795 . . . . 0.0 111.637 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -119.0 -23.12 6.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.275 1.03 . . . . 0.0 110.52 -168.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -74.06 140.79 45.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.186 0.994 . . . . 0.0 109.186 172.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 37' ' ' LEU . 13.7 mptt -48.95 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.615 1.166 . . . . 0.0 111.353 174.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -151.38 140.94 21.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.212 1.405 . . . . 0.0 107.342 -168.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -56.98 -15.8 5.69 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 p -55.44 -34.28 64.32 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.412 1.085 . . . . 0.0 111.726 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.01 -46.33 71.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.328 1.051 . . . . 0.0 109.386 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -44.96 83.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.824 174.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -47.08 77.45 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 121.149 1.795 . . . . 0.0 110.646 -177.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' HH11 ' A' ' 48' ' ' ARG . 11.1 mt -66.17 -41.77 89.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 123.564 0.746 . . . . 0.0 109.131 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 50' ' ' ILE . 97.7 m -63.74 -49.47 72.89 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -54.21 -43.35 70.69 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 127.078 2.151 . . . . 0.0 112.905 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.468 HH11 ' CD2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -56.39 -37.31 69.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.797 1.18 . . . . 0.0 110.681 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.53 -26.42 17.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.752 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -61.95 -53.24 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 CA-C-N 120.786 1.63 . . . . 0.0 106.747 168.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -2.52 11.05 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 118.484 0.584 . . . . 0.0 111.864 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -63.66 1.25 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.209 1.404 . . . . 0.0 111.299 161.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 18' ' ' LEU . 3.7 mp -57.4 -55.34 21.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 120.352 1.433 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -31.79 68.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 120.55 -1.344 . . . . 0.0 110.671 -175.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 m -69.53 -30.45 68.28 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.803 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.89 -46.29 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 122.48 2.4 . . . . 0.0 108.814 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 18' ' ' LEU . 3.0 tt -61.89 -44.36 96.96 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.038 -0.982 . . . . 0.0 108.993 175.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -53.29 -53.94 43.65 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.475 1.034 . . . . 0.0 110.35 178.37 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.72 -15.46 53.08 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.681 1.593 . . . . 0.0 111.508 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.1 mtm105 -99.94 -11.09 20.96 Favored 'General case' 0 CA--C 1.525 0.018 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.281 172.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.22 -44.59 83.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 120.681 1.582 . . . . 0.0 106.917 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -107.19 -15.29 14.7 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.733 1.213 . . . . 0.0 113.408 -175.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.76 64.55 2.32 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.594 ' CD1' HD23 ' A' ' 62' ' ' LEU . 17.7 mt -93.29 -84.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 127.218 2.207 . . . . 0.0 108.433 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -100.36 14.47 30.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.26 1.024 . . . . 0.0 112.047 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 . . . . . 0 C--O 1.242 0.707 0 C-N-CA 127.299 2.239 . . . . 0.0 110.441 -166.129 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 tpt . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 59.35 -178.08 0.09 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.886 1.674 . . . . 0.0 110.652 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -121.07 -78.65 0.6 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.45 -60.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 128.48 2.712 . . . . 0.0 108.401 -157.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.58 -46.86 58.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.15 0.976 . . . . 0.0 110.337 -173.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 13.3 mt -75.68 -11.68 60.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.86 -1.15 . . . . 0.0 113.145 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.21 24.02 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 113.671 166.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -43.15 89.78 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.377 1.071 . . . . 0.0 110.418 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' HD23 ' A' ' 14' ' ' LEU . 55.1 m-85 -57.44 157.03 7.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 125.099 1.499 . . . . 0.0 112.528 -161.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.0 p -64.78 161.39 18.16 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.376 -0.827 . . . . 0.0 109.822 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -47.7 -32.87 6.22 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 179.215 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -88.93 -43.15 11.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.762 1.225 . . . . 0.0 110.92 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.84 -31.72 72.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.712 1.142 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 11' ' ' ASP . 13.1 mt -61.09 -69.2 0.25 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.083 1.353 . . . . 0.0 107.597 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.09 65.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 116.592 -1.67 . . . . 0.0 109.45 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.79 -4.88 17.73 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.478 1.036 . . . . 0.0 113.287 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 -43.47 5.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 120.755 -1.216 . . . . 0.0 109.328 170.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.64 HD22 HG23 ' A' ' 53' ' ' ILE . 1.2 mt -78.97 -32.31 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -168.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -58.36 -43.35 88.32 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.563 1.164 . . . . 0.0 111.4 164.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -67.11 -49.88 63.38 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.767 0.712 . . . . 0.0 109.745 -172.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -54.09 -63.27 1.2 Allowed 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.145 -1.597 . . . . 0.0 107.963 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.32 62.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.946 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.6 -46.45 63.38 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.073 1.761 . . . . 0.0 111.841 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.9 -47.12 60.84 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 126.381 1.872 . . . . 0.0 109.812 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 tp -47.86 -54.69 11.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.96 0.8 . . . . 0.0 111.276 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.78 -22.09 62.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -39.2 18.34 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.588 1.555 . . . . 0.0 108.285 -177.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 37' ' ' LEU . 3.7 mp -62.53 -50.39 71.56 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 -59.48 -28.17 66.77 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.654 -1.279 . . . . 0.0 112.487 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.92 -25.77 59.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 111.514 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -81.7 -29.54 32.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 119.622 -1.924 . . . . 0.0 106.589 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 32' ' ' LEU . 3.3 tm? -68.96 -51.34 40.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.982 1.313 . . . . 0.0 111.477 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.31 -48.46 18.21 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.478 1.511 . . . . 0.0 109.29 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -26.73 63.54 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 123.79 0.836 . . . . 0.0 112.112 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.2 23.86 10.13 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 126.22 1.867 . . . . 0.0 113.571 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.46 -31.41 7.83 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.701 1.201 . . . . 0.0 109.942 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 28' ' ' LEU . 7.4 tp -86.19 114.07 22.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.67 1.588 . . . . 0.0 109.519 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -116.0 57.57 0.75 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.117 1.767 . . . . 0.0 108.957 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.97 76.86 0.65 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 120.989 -1.069 . . . . 0.0 109.719 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.9 p -75.83 -31.7 59.48 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.424 -1.422 . . . . 0.0 112.584 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -65.8 -32.27 73.71 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.261 0.937 . . . . 0.0 110.283 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.68 -42.82 85.91 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -48.76 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 119.665 1.12 . . . . 0.0 108.845 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -44.69 76.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.198 1.399 . . . . 0.0 111.276 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.12 -23.85 62.17 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 121.102 -0.999 . . . . 0.0 108.99 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.535 HG22 HD13 ' A' ' 50' ' ' ILE 0.251 33.7 m -75.36 -59.01 2.94 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 116.617 -1.658 . . . . 0.0 107.271 178.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -49.85 -41.56 45.47 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 123.421 2.828 . . . . 0.0 113.691 174.233 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -51.23 -59.8 3.81 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.212 1.005 . . . . 0.0 111.751 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.06 -31.93 61.4 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.059 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -50.87 -49.9 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 120.412 1.46 . . . . 0.0 107.144 168.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 -5.13 47.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.977 0.808 . . . . 0.0 111.96 -171.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -61.67 1.66 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.256 1.822 . . . . 0.0 111.287 162.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 18' ' ' LEU . 1.8 mp -54.76 -57.16 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 C-N-CA 126.14 1.776 . . . . 0.0 113.252 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -34.3 70.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -64.45 -41.78 96.35 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 114.56 -2.638 . . . . 0.0 111.014 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -48.66 -46.21 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 123.672 2.942 . . . . 0.0 110.148 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.4 tt -64.42 -43.73 93.42 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.971 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.07 -52.24 26.74 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 122.962 0.505 . . . . 0.0 109.86 170.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -49.86 -29.89 8.94 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.94 1.296 . . . . 0.0 114.472 -173.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -0.56 16.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.26 1.824 . . . . 0.0 114.018 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.99 -8.6 59.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 121.551 1.978 . . . . 0.0 109.811 160.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 58' ' ' ARG . 42.2 mt -131.63 -156.59 0.76 Allowed 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 129.32 3.048 . . . . 0.0 105.729 -163.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.0 39.33 1.92 Allowed Glycine 0 CA--C 1.519 0.338 0 CA-C-O 119.035 -0.869 . . . . 0.0 111.603 167.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.2 mm -61.6 -82.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 124.787 1.235 . . . . 0.0 109.04 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -125.24 72.4 1.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 . . . . . 0 C--O 1.248 1.002 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 166.087 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -143.65 146.64 33.4 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 121.022 1.737 . . . . 0.0 108.454 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.64 -0.12 10.3 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 114.975 -2.44 . . . . 0.0 113.255 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -44.16 -42.9 6.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 122.239 2.29 . . . . 0.0 110.37 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.93 -53.67 9.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.958 1.703 . . . . 0.0 114.454 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 2.7 mp -90.71 -23.81 20.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 128.005 2.522 . . . . 0.0 113.628 -171.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -10.82 47.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.469 -0.776 . . . . 0.0 110.936 172.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -22.5 61.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.806 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.8 m-85 -63.58 161.03 15.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 123.758 0.823 . . . . 0.0 109.604 -171.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -72.22 161.2 31.19 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.667 -1.27 . . . . 0.0 109.477 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.1 -19.93 65.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 121.796 2.089 . . . . 0.0 113.783 -170.68 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.95 -44.74 25.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.765 0.826 . . . . 0.0 112.3 164.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.37 -33.77 76.27 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 119.688 1.131 . . . . 0.0 110.63 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 11' ' ' ASP . 30.6 mt -61.82 -66.26 0.56 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.505 2.722 . . . . 0.0 106.029 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -53.96 -48.71 70.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 119.226 0.921 . . . . 0.0 109.358 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.35 -2.0 23.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.419 1.009 . . . . 0.0 112.188 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.89 -54.05 3.32 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.822 1.649 . . . . 0.0 107.479 172.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -71.17 -40.85 71.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.13 -171.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -64.43 -35.33 80.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.874 1.27 . . . . 0.0 110.639 174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.69 -50.02 54.27 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 10.5 mmmt -59.49 -52.93 63.47 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.964 0.906 . . . . 0.0 108.6 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -46.6 -48.23 19.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 115.509 -2.186 . . . . 0.0 112.521 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -67.53 -50.35 59.07 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 121.939 2.154 . . . . 0.0 109.957 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -52.82 10.93 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 125.441 1.496 . . . . 0.0 110.13 -172.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.96 -47.21 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.128 1.331 . . . . 0.0 112.2 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.1 mtt -66.56 -26.85 67.32 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.14 -37.44 14.2 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.264 1.031 . . . . 0.0 109.676 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 37' ' ' LEU . 98.2 mt -59.82 -51.08 71.26 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 125.47 1.508 . . . . 0.0 109.158 171.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.7 ptt85 -60.31 -28.3 68.0 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.937 -1.102 . . . . 0.0 111.519 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -71.32 -26.89 63.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 111.033 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -73.9 -33.8 64.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.739 1.608 . . . . 0.0 108.651 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.42 -51.59 59.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.073 0.851 . . . . 0.0 110.292 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.33 21.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.306 1.842 . . . . 0.0 110.424 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mmt -81.33 -17.99 47.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.22 30.67 11.95 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 126.288 1.899 . . . . 0.0 112.985 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -121.24 -22.17 6.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.566 0.746 . . . . 0.0 110.101 -167.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD11 HG12 ' A' ' 43' ' ' ILE . 6.0 tt -62.68 120.59 11.49 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 124.635 1.174 . . . . 0.0 110.782 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -71.92 75.94 0.9 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.665 1.586 . . . . 0.0 109.977 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.52 124.09 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.227 3.011 . . . . 0.0 115.182 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.1 p -49.08 -16.97 0.17 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.181 2.592 . . . . 0.0 117.134 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 m -51.65 -38.45 54.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 120.839 1.654 . . . . 0.0 110.731 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.8 -50.43 73.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.015 0.926 . . . . 0.0 109.796 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.39 -49.6 79.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-O 117.256 -1.354 . . . . 0.0 109.888 178.485 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -45.67 62.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.968 1.713 . . . . 0.0 110.881 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.73 -13.94 58.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 O-C-N 121.403 -0.811 . . . . 0.0 110.35 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 50' ' ' ILE . 35.2 m -87.44 -55.49 3.77 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.758 1.623 . . . . 0.0 106.935 172.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -45.39 -45.78 12.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 128.366 2.666 . . . . 0.0 112.43 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -50.1 -54.14 22.52 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.09 0.859 . . . . 0.0 111.344 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.16 -27.03 56.82 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 126.019 1.728 . . . . 0.0 109.465 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -66.59 -55.7 17.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 121.905 2.139 . . . . 0.0 106.796 173.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 0.76 5.63 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.29 -0.881 . . . . 0.0 112.113 -173.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.539 ' HD2' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -99.33 -60.11 1.59 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.603 3.161 . . . . 0.0 110.083 171.497 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 18' ' ' LEU . 68.7 mt -64.95 -52.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 127.801 2.44 . . . . 0.0 110.778 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -33.47 69.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.788 -1.195 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.5 m -66.68 -36.43 82.51 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.58 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.454 HG13 HD23 ' A' ' 6' ' ' LEU . 2.9 mm -51.93 -44.76 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.804 2.093 . . . . 0.0 110.76 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.29 -51.45 69.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.727 0.811 . . . . 0.0 109.906 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -50.31 45.72 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 0.0 110.717 175.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.64 -29.12 70.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.081 1.353 . . . . 0.0 110.071 -173.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -83.47 -20.93 33.11 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 121.315 -0.866 . . . . 0.0 112.884 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.27 -58.68 5.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.8 -13.06 56.94 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.974 0.806 . . . . 0.0 111.61 -174.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.97 51.27 7.08 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.5 mm -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 109.062 152.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -139.47 75.63 1.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 102.742 -3.058 . . . . 0.0 102.742 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 C--O 1.249 1.041 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 157.1 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -155.91 173.7 16.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 119.061 0.846 . . . . 0.0 110.044 162.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . -121.94 -86.1 0.65 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.341 1.456 . . . . 0.0 109.011 172.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.3 m 57.68 -60.34 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 127.563 2.345 . . . . 0.0 110.669 -147.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.3 -52.83 63.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.158 2.183 . . . . 0.0 109.604 -174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.64 -15.12 60.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 119.794 -1.816 . . . . 0.0 113.835 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -7.68 47.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 119.536 1.062 . . . . 0.0 112.283 170.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.24 -10.99 59.97 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.376 1.87 . . . . 0.0 112.906 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.804 ' HB2' HD13 ' A' ' 14' ' ' LEU . 48.5 m-85 -81.15 165.65 21.36 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -174.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 14' ' ' LEU . 49.4 p -70.83 152.99 43.15 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -43.58 -29.77 0.52 Allowed 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 128.169 2.588 . . . . 0.0 113.343 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.93 -51.89 9.02 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.866 0.729 . . . . 0.0 111.112 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.0 -35.87 73.96 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 123.083 0.553 . . . . 0.0 111.392 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -54.74 -69.23 0.13 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -43.64 72.54 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.463 -2.208 . . . . 0.0 109.837 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -64.62 -15.33 61.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 120.304 1.411 . . . . 0.0 112.745 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 -43.87 7.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.38 -30.06 37.83 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.169 -0.957 . . . . 0.0 108.456 -172.26 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.81 -33.54 68.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.845 -0.597 . . . . 0.0 112.261 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 43.1 tt0 -66.82 -55.78 13.34 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.277 0.56 . . . . 0.0 110.113 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.1 mmmt -59.66 -53.62 55.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 119.745 -1.847 . . . . 0.0 108.989 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -52.81 -39.11 62.12 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 120.699 1.591 . . . . 0.0 111.943 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 9.5 ptm85 -76.03 -40.34 53.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.768 1.622 . . . . 0.0 112.998 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -51.42 -53.07 40.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.563 1.545 . . . . 0.0 107.58 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.623 HD11 ' HD3' ' A' ' 47' ' ' LYS . 30.5 tp -53.99 -50.57 66.28 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.034 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.9 ttm -55.16 -28.71 54.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -42.13 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.485 1.114 . . . . 0.0 109.762 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 46' ' ' THR . 92.2 mt -68.58 -33.62 74.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 O-C-N 120.817 -1.177 . . . . 0.0 107.875 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 ptm85 -64.94 -28.19 69.36 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 120.787 -1.196 . . . . 0.0 111.399 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.53 -32.71 66.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.619 1.168 . . . . 0.0 110.928 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -71.8 -43.66 65.29 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 121.767 2.076 . . . . 0.0 106.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.2 tm? -55.5 -53.35 57.48 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.086 0.954 . . . . 0.0 110.697 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.271 1.029 . . . . 0.0 110.157 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.38 60.37 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.322 1.049 . . . . 0.0 112.53 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.72 6.85 24.55 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 129.699 3.523 . . . . 0.0 114.457 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -103.84 -28.15 11.79 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.014 1.407 . . . . 0.0 110.701 -151.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 119.27 9.2 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.517 1.527 . . . . 0.0 109.422 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 161.21 8.34 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.23 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -24.01 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 1 C-N-CA 132.744 4.418 . . . . 0.0 117.731 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . 0.347 1.5 p 23.61 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.761 3.224 . . . . 0.0 116.542 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.5 m -94.0 -34.82 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.483 -0.761 . . . . 0.0 109.892 163.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' CD2' HD13 ' A' ' 28' ' ' LEU . 7.4 tt -69.77 -46.38 65.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.779 0.718 . . . . 0.0 110.094 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -59.42 -46.49 92.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.205 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -42.79 92.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.64 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.27 -48.26 80.69 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.751 2.82 . . . . 0.0 108.707 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 28' ' ' LEU . 31.6 m -57.6 -48.48 79.29 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD3' HD11 ' A' ' 25' ' ' LEU . 3.7 mmmm -52.96 -43.22 66.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.412 1.915 . . . . 0.0 112.098 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -58.94 -40.41 84.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' O ' HD12 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -83.43 -36.02 24.56 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.888 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.479 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -58.11 -57.55 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 120.182 1.356 . . . . 0.0 109.007 175.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.34 0.09 8.91 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 120.517 -1.364 . . . . 0.0 112.041 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -57.05 2.83 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.717 1.607 . . . . 0.0 110.259 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.753 HD13 ' HG3' ' A' ' 21' ' ' LYS . 3.8 mt -66.57 -44.79 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 119.829 -1.794 . . . . 0.0 112.01 -178.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -31.23 70.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 121.402 1.91 . . . . 0.0 109.866 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -60.79 -37.27 81.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.426 -1.273 . . . . 0.0 109.698 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 3' ' ' ALA . 5.6 mm -57.75 -41.46 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 120.638 1.563 . . . . 0.0 109.968 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -53.09 61.66 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -53.55 53.17 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 119.019 0.827 . . . . 0.0 112.178 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.61 -42.65 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.919 1.288 . . . . 0.0 109.313 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -66.26 -35.14 79.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.72 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.02 -43.56 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.494 1.118 . . . . 0.0 110.156 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -19.83 24.17 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.124 0.875 . . . . 0.0 113.177 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 4.49 26.8 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.792 1.186 . . . . 0.0 115.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.0 mm -63.52 -19.96 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 126.93 2.092 . . . . 0.0 112.944 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.45 22.87 6.99 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 123.681 0.792 . . . . 0.0 112.689 -164.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 N--CA 1.433 -1.324 0 O-C-N 125.284 1.615 . . . . 0.0 109.602 168.715 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.93 -31.33 1.72 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.7 -90.62 0.57 Allowed 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.611 0.765 . . . . 0.0 109.286 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.9 m 57.96 -13.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 128.609 2.764 . . . . 0.0 116.341 -173.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.21 -46.92 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.768 1.627 . . . . 0.0 107.731 166.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.28 -6.34 57.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -12.07 27.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.138 0.975 . . . . 0.0 112.592 161.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -95.47 -24.23 16.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.173 1.389 . . . . 0.0 113.142 -155.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 14' ' ' LEU . 56.6 m-85 -57.67 167.15 1.15 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 118.716 0.689 . . . . 0.0 110.853 165.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.82 163.33 28.29 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.617 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.549 ' HA ' HD12 ' A' ' 14' ' ' LEU . 32.5 m-20 -53.23 -36.44 61.04 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.749 1.159 . . . . 0.0 112.109 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -62.04 -63.14 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.819 1.248 . . . . 0.0 110.984 168.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.06 -14.72 61.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 112.733 -172.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 11' ' ' ASP . 16.5 mt -70.24 -73.46 0.16 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 166.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.35 66.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 120.115 1.325 . . . . 0.0 111.029 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.13 -10.38 49.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 119.388 0.995 . . . . 0.0 113.38 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -45.96 4.77 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 1.6 mt -69.01 -32.39 71.89 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -172.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.5 -35.49 77.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.271 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.96 -48.8 77.33 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.438 0.695 . . . . 0.0 109.379 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.0 mmmt -59.36 -57.59 12.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 174.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.27 -42.82 31.8 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.399 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -69.24 -50.62 45.47 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.327 1.421 . . . . 0.0 109.864 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.35 -51.58 10.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.286 1.834 . . . . 0.0 110.21 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 tp -53.49 -53.43 51.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.335 0.516 . . . . 0.0 111.509 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.9 mtm -66.26 -22.11 66.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.668 0.787 . . . . 0.0 112.243 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.52 -44.09 9.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.763 2.025 . . . . 0.0 112.866 -174.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.64 -59.34 4.58 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 126.623 1.969 . . . . 0.0 108.534 166.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -59.42 -25.44 64.33 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.081 -1.012 . . . . 0.0 111.93 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -71.18 -30.99 67.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.926 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -78.44 -32.64 48.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 120.294 1.406 . . . . 0.0 108.837 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -58.65 -56.82 17.27 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.61 -27.9 68.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.249 1.42 . . . . 0.0 112.334 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.27 -9.9 58.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.664 0.786 . . . . 0.0 112.708 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.14 10.12 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 127.345 2.402 . . . . 0.0 109.992 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -130.11 -21.04 3.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.646 1.578 . . . . 0.0 110.537 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.51 131.83 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.735 1.614 . . . . 0.0 108.149 167.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -140.55 54.59 1.6 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.296 1.438 . . . . 0.0 111.529 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -136.5 -72.44 0.45 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.631 0.772 . . . . 0.0 109.265 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m 70.94 -20.16 0.22 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.695 2.798 . . . . 0.0 114.343 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -35.17 79.8 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.232 -1.543 . . . . 0.0 109.859 167.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.68 83.37 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.706 170.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.87 -45.0 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.605 2.002 . . . . 0.0 110.519 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -44.64 61.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 121.469 1.94 . . . . 0.0 111.193 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -80.8 -31.2 35.76 Favored 'General case' 0 N--CA 1.422 -1.871 0 C-N-CA 127.813 2.445 . . . . 0.0 109.822 -172.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.606 HG22 HD13 ' A' ' 50' ' ' ILE . 21.3 m -65.78 -53.08 45.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 167.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -52.54 -45.15 66.22 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 126.915 2.086 . . . . 0.0 112.679 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.05 -42.5 94.63 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.989 1.268 . . . . 0.0 110.21 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -70.98 -39.83 72.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -60.51 -55.21 25.92 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -8.69 25.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 119.679 1.127 . . . . 0.0 112.399 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -60.72 1.9 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.374 1.869 . . . . 0.0 109.948 167.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 4.9 mt -61.73 -54.31 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 127.53 2.332 . . . . 0.0 111.917 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -33.84 72.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 120.262 -1.524 . . . . 0.0 110.642 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -59.12 -51.36 70.36 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 116.237 -1.84 . . . . 0.0 108.175 173.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mm -46.21 -50.23 4.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-N 119.928 1.24 . . . . 0.0 110.253 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.67 -60.52 2.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 122.426 1.108 . . . . 0.0 110.545 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 -50.45 61.12 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.635 1.574 . . . . 0.0 112.364 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.86 61.19 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 128.241 2.616 . . . . 0.0 108.163 -172.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -99.9 -21.45 15.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.584 1.154 . . . . 0.0 111.598 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.29 -56.73 17.19 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 166.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -74.21 -14.58 60.96 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.419 1.009 . . . . 0.0 111.5 -178.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.4 27.73 56.96 Favored Glycine 0 N--CA 1.447 -0.598 0 O-C-N 121.763 -0.586 . . . . 0.0 113.674 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.52 -40.66 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 118.844 1.322 . . . . 0.0 109.175 172.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -116.61 21.01 13.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.437 1.895 . . . . 0.0 111.443 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.247 0.932 0 C-N-CA 126.786 2.035 . . . . 0.0 112.284 -174.124 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptt? . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -152.42 162.99 40.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.418 1.008 . . . . 0.0 109.233 170.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.81 -81.37 0.64 Allowed 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 126.551 1.94 . . . . 0.0 106.138 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 60.89 -52.66 0.1 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 130.196 3.399 . . . . 0.0 110.831 -162.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.64 -52.35 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 124.076 0.95 . . . . 0.0 109.388 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.8 -10.31 59.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.082 -1.636 . . . . 0.0 113.768 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -4.48 24.48 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.873 0.869 . . . . 0.0 113.152 171.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -23.45 37.16 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.598 1.159 . . . . 0.0 113.031 -176.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 14' ' ' LEU . 81.5 m-85 -64.2 167.58 6.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.663 1.185 . . . . 0.0 111.537 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -77.22 164.14 25.88 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.723 173.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.495 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.97 -41.48 67.91 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.883 1.674 . . . . 0.0 111.758 -176.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -43.39 82.7 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 122.841 0.457 . . . . 0.0 111.966 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -67.54 -38.62 84.45 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 119.126 0.876 . . . . 0.0 110.327 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 11' ' ' ASP . 20.8 mt -67.21 -14.18 62.67 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 117.137 -1.411 . . . . 0.0 114.039 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.27 -45.67 5.27 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.335 1.854 . . . . 0.0 109.279 164.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.13 -14.35 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.806 1.639 . . . . 0.0 112.301 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.27 -57.34 3.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 123.479 1.609 . . . . 0.0 108.598 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.34 -34.35 63.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 112.804 -1.998 . . . . 0.0 111.158 -165.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.56 -30.35 71.08 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.699 1.2 . . . . 0.0 109.488 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -75.97 -52.29 10.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -56.34 -56.35 22.15 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.857 -1.152 . . . . 0.0 108.136 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -47.29 -44.57 23.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 116.462 -1.732 . . . . 0.0 113.332 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -67.46 -54.96 15.69 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 120.987 1.721 . . . . 0.0 109.806 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -45.08 -51.99 9.58 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 126.479 1.912 . . . . 0.0 110.341 -173.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.64 -48.06 66.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.697 1.135 . . . . 0.0 111.925 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ttt -66.5 -28.55 68.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.627 1.171 . . . . 0.0 112.241 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.52 -31.87 17.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.559 1.072 . . . . 0.0 110.451 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.26 -44.01 63.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.682 1.193 . . . . 0.0 108.794 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -56.72 -28.42 60.98 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.302 -1.499 . . . . 0.0 111.695 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -25.06 50.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.05 1.74 . . . . 0.0 110.049 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -77.61 -38.83 47.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.17 -49.52 73.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.929 0.892 . . . . 0.0 110.395 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.29 -14.24 6.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.198 1.799 . . . . 0.0 112.651 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.61 -8.63 18.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.623 1.169 . . . . 0.0 112.966 172.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 48.44 19.64 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 128.75 3.071 . . . . 0.0 110.206 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -121.55 -37.69 2.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.444 1.098 . . . . 0.0 109.836 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.97 -41.84 99.66 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.709 0.804 . . . . 0.0 111.434 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 tttp 55.09 86.32 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.514 1.526 . . . . 0.0 111.76 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 96.56 159.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 131.014 3.726 . . . . 0.0 111.75 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.4 p -121.09 3.36 10.44 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -57.04 -38.56 73.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 120.112 1.324 . . . . 0.0 110.04 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -69.7 -43.09 73.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.643 176.145 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -41.79 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 120.959 1.709 . . . . 0.0 110.287 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -58.47 -45.21 89.1 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.755 1.161 . . . . 0.0 110.275 175.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD13 ' HD3' ' A' ' 48' ' ' ARG . 2.1 mm? -69.09 -28.55 66.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 120.416 -1.427 . . . . 0.0 110.415 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 50' ' ' ILE . 18.4 m -70.92 -55.72 7.78 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -46.91 -48.3 21.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 127.783 2.433 . . . . 0.0 112.389 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 11.2 ptt85 -60.42 -45.64 92.87 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.618 1.099 . . . . 0.0 109.876 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -39.29 74.82 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -56.23 -53.37 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.19 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.706 0.685 . . . . 0.0 112.36 -172.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -62.26 1.5 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 109.369 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 mp -50.99 -59.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.9 1.68 . . . . 0.0 113.369 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -21.61 60.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 120.293 -1.505 . . . . 0.0 112.295 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -83.09 -29.8 28.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.429 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -50.15 -45.41 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 122.526 2.421 . . . . 0.0 110.765 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 18' ' ' LEU . 5.1 tt -66.76 -46.63 74.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.813 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.74 -47.71 63.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.684 1.129 . . . . 0.0 111.7 176.35 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.0 -32.52 64.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.795 1.238 . . . . 0.0 111.29 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.55 -34.39 60.73 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.394 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -55.49 -46.97 76.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.206 1.002 . . . . 0.0 109.181 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -96.3 0.22 50.53 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.68 30.43 64.02 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.198 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.42 -18.27 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.509 1.524 . . . . 0.0 110.943 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -132.91 68.62 1.5 Allowed 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 . . . . . 0 C--O 1.251 1.16 0 N-CA-C 104.622 -2.362 . . . . 0.0 104.622 158.011 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtp . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -86.22 160.72 19.1 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.826 0.851 . . . . 0.0 110.519 -173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.12 -86.23 0.65 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.96 1.304 . . . . 0.0 108.28 164.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 m 62.55 -57.14 0.14 Allowed 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 129.207 3.003 . . . . 0.0 109.661 -154.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -56.07 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 128.254 2.621 . . . . 0.0 110.497 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.92 -16.65 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 126.148 1.779 . . . . 0.0 112.217 -175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.32 54.59 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.922 0.489 . . . . 0.0 110.413 169.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.02 -4.3 40.5 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.733 -167.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.345 63.0 m-85 -77.21 161.13 28.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 120.555 1.525 . . . . 0.0 108.453 -178.488 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.401 ' C ' HD22 ' A' ' 14' ' ' LEU . 73.4 p -80.03 150.41 30.38 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 172.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -36.27 -45.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 129.04 2.936 . . . . 0.0 110.261 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.12 -37.13 75.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.04 -44.18 69.73 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.498 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -49.74 -60.36 2.96 Favored 'General case' 0 C--N 1.342 0.249 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.088 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -58.34 6.52 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.69 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.56 -15.22 57.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -170.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -96.49 -51.7 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.33 -29.23 57.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.712 0.805 . . . . 0.0 109.063 -169.66 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.06 -29.33 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.404 1.082 . . . . 0.0 111.748 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -70.13 -51.7 29.44 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.151 0.98 . . . . 0.0 109.535 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -53.89 -61.48 2.28 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 173.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -47.46 -44.98 25.5 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.475 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -64.17 -55.4 22.07 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 120.258 1.39 . . . . 0.0 110.569 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.86 -49.64 19.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.72 1.208 . . . . 0.0 110.573 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.09 -52.67 41.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.179 1.354 . . . . 0.0 111.582 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.7 tpt -65.0 -25.25 67.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.481 1.112 . . . . 0.0 112.236 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.29 -40.0 12.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.215 1.007 . . . . 0.0 109.761 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 HG21 ' A' ' 46' ' ' THR . 96.7 mt -63.88 -41.46 97.73 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.149 -1.594 . . . . 0.0 109.277 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -61.61 -31.58 71.66 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.705 -1.247 . . . . 0.0 110.237 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.0 -32.66 73.21 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.358 -1.306 . . . . 0.0 111.088 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -74.03 -39.72 63.37 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 121.742 2.065 . . . . 0.0 107.52 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.11 -51.1 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.559 0.744 . . . . 0.0 110.277 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.36 -23.14 66.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.265 1.026 . . . . 0.0 111.839 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -81.52 -18.37 45.27 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 120.039 1.29 . . . . 0.0 112.386 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.33 42.83 4.8 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.181 1.848 . . . . 0.0 111.121 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -129.61 -29.73 2.14 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.144 1.472 . . . . 0.0 112.113 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 119.21 5.87 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.1 1.36 . . . . 0.0 110.609 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -55.23 -59.62 4.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.891 0.768 . . . . 0.0 112.019 -176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.4 122.53 11.46 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.719 0.69 . . . . 0.0 111.428 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.7 p -64.5 -12.99 49.91 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.05 -22.5 65.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.861 1.664 . . . . 0.0 111.597 171.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.7 -57.25 12.69 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 116.643 -1.646 . . . . 0.0 108.437 160.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -43.27 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 121.826 2.103 . . . . 0.0 110.763 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.24 -50.56 70.95 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.494 1.043 . . . . 0.0 110.008 176.804 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.74 -38.11 89.87 Favored 'General case' 0 N--CA 1.415 -2.202 0 C-N-CA 126.419 1.888 . . . . 0.0 108.286 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.564 HG22 HD13 ' A' ' 50' ' ' ILE . 5.8 m -65.16 -52.33 55.7 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -51.06 -44.16 61.1 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.881 2.073 . . . . 0.0 113.034 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD2' ' HE2' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -58.46 -49.45 77.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.784 1.174 . . . . 0.0 108.02 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.54 -42.86 82.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.564 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.32 -53.16 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.116 0 CA-C-N 120.101 1.319 . . . . 0.0 108.187 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -13.97 62.64 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.772 -174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -61.5 1.79 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.08 1.752 . . . . 0.0 109.104 172.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 mp -55.27 -56.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 127.043 2.137 . . . . 0.0 111.746 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.43 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 120.348 -1.47 . . . . 0.0 110.832 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -40.32 82.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 116.389 -1.767 . . . . 0.0 110.591 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.25 -49.1 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 122.09 2.223 . . . . 0.0 109.586 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.08 -54.26 45.38 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -47.45 30.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.675 1.19 . . . . 0.0 111.388 176.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.25 -13.35 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.915 1.286 . . . . 0.0 112.666 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -96.1 -19.97 19.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.691 1.196 . . . . 0.0 112.145 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.05 -67.06 0.46 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.64 169.28 17.85 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.364 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.1 23.63 1.39 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.865 -0.964 . . . . 0.0 114.104 -173.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -63.17 -24.3 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 119.918 1.859 . . . . 0.0 110.566 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -134.29 14.47 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.191 1.396 . . . . 0.0 112.384 174.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 127.384 2.274 . . . . 0.0 113.549 -169.309 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -151.01 171.67 16.92 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.661 -0.649 . . . . 0.0 109.762 170.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 3.82 24.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 130.249 3.42 . . . . 0.0 111.595 168.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.31 0.63 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.577 1.535 . . . . 0.0 112.805 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.5 -44.99 16.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.651 2.38 . . . . 0.0 113.976 171.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 12.6 mt -80.96 -37.22 29.77 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 126.229 1.811 . . . . 0.0 111.234 -171.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -11.77 53.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.619 1.099 . . . . 0.0 110.847 174.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.04 0.64 56.51 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.668 1.587 . . . . 0.0 113.269 -162.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.808 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.432 29.3 m-85 -76.62 179.5 5.95 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 119.852 1.206 . . . . 0.0 110.849 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -86.59 147.0 26.12 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.769 2.077 . . . . 0.0 107.36 165.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -47.84 -31.39 4.96 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 122.891 2.587 . . . . 0.0 111.823 -177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -68.53 -47.86 65.82 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 113.58 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.82 -43.1 99.52 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.242 0.928 . . . . 0.0 110.486 170.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -54.37 -57.24 12.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -173.45 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.33 83.09 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.303 -1.332 . . . . 0.0 110.291 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -15.05 62.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 121.261 1.846 . . . . 0.0 112.626 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.33 -57.32 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 128.492 2.717 . . . . 0.0 106.723 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -67.95 -38.01 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -37.59 86.63 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.233 172.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -67.04 -50.27 62.53 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.646 1.179 . . . . 0.0 109.491 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -63.9 -54.08 40.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.698 -1.594 . . . . 0.0 106.698 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -45.95 -51.83 12.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.358 -1.306 . . . . 0.0 112.39 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.29 -52.16 59.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.316 1.416 . . . . 0.0 109.939 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -47.74 -50.4 25.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.267 1.027 . . . . 0.0 109.73 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.78 -50.51 55.86 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.174 1.352 . . . . 0.0 111.989 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mmt -62.27 -27.86 69.31 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -94.21 -25.67 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.511 1.148 . . . . 0.0 111.096 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 46' ' ' THR . 94.2 mt -70.0 -45.1 67.99 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.437 1.495 . . . . 0.0 109.151 168.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -61.56 -26.29 67.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.354 -1.466 . . . . 0.0 111.39 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.55 -46.17 89.58 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.988 0.915 . . . . 0.0 110.409 169.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.22 -40.53 90.35 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.529 1.513 . . . . 0.0 108.038 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.1 tm? -58.3 -54.04 51.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.091 0.956 . . . . 0.0 110.329 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.7 69.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.815 0.846 . . . . 0.0 112.285 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 mtt -67.7 -41.45 83.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.62 0.646 . . . . 0.0 110.857 167.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 43.88 0.57 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 125.813 1.673 . . . . 0.0 112.438 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -124.07 -26.04 4.09 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.769 1.284 . . . . 0.0 111.313 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.83 94.39 2.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.094 -1.004 . . . . 0.0 111.634 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -38.8 105.81 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.068 1.747 . . . . 0.0 111.732 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 t30 40.76 33.69 0.22 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.723 2.809 . . . . 0.0 114.814 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p 47.56 21.18 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -170.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -57.15 -41.92 80.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 120.738 -1.226 . . . . 0.0 111.581 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -47.83 29.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.881 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.37 -45.0 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.28 46.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.754 1.161 . . . . 0.0 111.201 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -13.04 61.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.559 1.144 . . . . 0.0 111.395 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.673 HG22 HD13 ' A' ' 50' ' ' ILE . 62.1 m -93.49 -52.91 4.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -49.63 -41.41 42.34 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.198 1.799 . . . . 0.0 112.32 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -51.75 -57.3 9.66 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.703 0.627 . . . . 0.0 110.77 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.22 -29.06 66.92 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.199 1.8 . . . . 0.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.673 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -70.0 -53.54 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.972 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.96 -9.87 48.86 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.762 1.164 . . . . 0.0 112.439 -173.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 6' ' ' LEU 0.28 0.4 OUTLIER -85.56 -63.13 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 130.902 3.681 . . . . 0.0 109.39 173.378 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.628 HG22 ' HA ' ' A' ' 18' ' ' LEU . 95.0 mt -66.98 -51.15 57.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 127.898 2.479 . . . . 0.0 109.954 -178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.08 69.42 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 120.136 -1.603 . . . . 0.0 109.669 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.5 m -67.89 -33.28 74.42 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 116.76 -1.59 . . . . 0.0 111.276 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.0 -37.0 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 122.065 2.211 . . . . 0.0 111.254 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.12 -59.36 4.87 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 168.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -48.19 70.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.772 0.829 . . . . 0.0 112.289 -176.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.09 -14.65 4.09 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.45 2.3 . . . . 0.0 111.486 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -104.6 -16.81 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 120.097 -1.627 . . . . 0.0 112.905 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -62.74 -46.85 86.14 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.904 0.774 . . . . 0.0 109.012 170.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.15 -21.19 27.69 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.862 -1.149 . . . . 0.0 112.612 175.327 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.05 58.91 3.83 Favored Glycine 0 CA--C 1.521 0.447 0 O-C-N 120.648 -1.282 . . . . 0.0 111.732 -168.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mm -86.44 -14.87 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.586 1.954 . . . . 0.0 110.021 157.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -133.24 55.06 1.92 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.17 -1.582 . . . . 0.0 107.001 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.437 1.495 . . . . 0.0 107.855 171.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtp . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 119.011 -0.519 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 mttm 62.97 130.12 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.679 2.392 . . . . 0.0 113.81 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.49 -82.1 0.65 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.311 1.445 . . . . 0.0 109.509 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.74 -21.59 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.999 3.72 . . . . 0.0 116.184 -159.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.575 ' CG ' HD22 ' A' ' 6' ' ' LEU . 5.7 pt-20 -90.85 -58.99 2.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 120.099 1.318 . . . . 0.0 108.15 162.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.695 HD21 HG13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -80.96 -2.86 49.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -164.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -8.66 25.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 118.946 -2.346 . . . . 0.0 111.296 169.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.49 -32.71 42.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.647 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.341 83.4 m-85 -82.3 176.96 9.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.246 -169.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.419 ' O ' HD22 ' A' ' 14' ' ' LEU . 41.0 p -80.56 146.22 31.38 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.38 -32.21 0.07 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 128.422 2.689 . . . . 0.0 111.982 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.98 -50.51 19.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.609 3.164 . . . . 0.0 115.393 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.953 -1.092 . . . . 0.0 110.782 168.301 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.53 -60.62 3.1 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -42.93 62.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 120.326 1.421 . . . . 0.0 109.837 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -71.72 -2.09 16.2 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.59 -40.38 5.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.282 2.233 . . . . 0.0 110.073 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -82.62 -32.19 28.47 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.624 -1.297 . . . . 0.0 109.117 -167.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.92 80.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.03 1.332 . . . . 0.0 109.801 164.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.99 -51.04 66.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.899 1.28 . . . . 0.0 109.646 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -58.19 -56.3 23.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 119.749 -1.844 . . . . 0.0 108.161 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -55.61 -34.77 65.18 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.839 -1.163 . . . . 0.0 112.126 -174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -73.32 -51.36 17.78 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 120.962 1.71 . . . . 0.0 110.98 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.96 -44.24 40.56 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.021 1.728 . . . . 0.0 111.118 -174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 47' ' ' LYS . 19.9 tp -51.63 -54.31 29.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.469 1.031 . . . . 0.0 110.955 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.4 mtt -65.64 -23.97 66.93 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.41 -40.54 13.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.137 1.375 . . . . 0.0 108.853 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.63 -51.62 61.69 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -56.65 -33.86 66.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.929 -1.107 . . . . 0.0 111.641 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.47 -28.99 69.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.071 1.348 . . . . 0.0 110.752 175.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -78.24 -30.13 48.52 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.26 -1.525 . . . . 0.0 109.127 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HB2' HD13 ' A' ' 37' ' ' LEU . 2.1 tm? -65.39 -52.88 50.51 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 119.954 1.252 . . . . 0.0 110.211 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.35 -43.38 16.02 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.703 1.601 . . . . 0.0 109.566 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -16.26 54.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.63 30.58 9.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 127.177 2.322 . . . . 0.0 112.731 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -121.35 -20.85 6.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.884 0.874 . . . . 0.0 110.071 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 32' ' ' LEU . 7.0 tt -61.84 124.13 19.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.875 1.67 . . . . 0.0 110.695 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -101.39 84.99 2.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.286 1.035 . . . . 0.0 111.184 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 91.09 112.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 128.981 2.913 . . . . 0.0 111.151 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.8 p -71.59 -7.86 50.37 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.2 m -60.2 -24.17 64.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.631 1.105 . . . . 0.0 111.907 174.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.96 -49.08 16.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -43.32 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 120.68 1.582 . . . . 0.0 110.789 -173.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -33.01 74.79 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.37 1.068 . . . . 0.0 112.491 -173.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . 0.255 1.9 tp -71.61 -42.38 67.75 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 128.945 2.898 . . . . 0.0 107.135 169.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.699 HG22 ' CD1' ' A' ' 50' ' ' ILE . 1.7 m -54.78 -54.97 35.13 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 119.834 1.197 . . . . 0.0 109.248 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.349 0.0 OUTLIER -52.05 -42.11 62.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 119.436 -2.04 . . . . 0.0 115.74 175.716 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -48.95 78.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.482 1.492 . . . . 0.0 108.78 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.97 -41.79 61.43 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 117.26 -1.353 . . . . 0.0 107.869 -173.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.699 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.1 mp -46.46 -50.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-N 120.521 1.51 . . . . 0.0 108.739 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.73 85.13 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -59.68 4.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.365 0.984 . . . . 0.0 112.159 173.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.695 HG13 HD21 ' A' ' 6' ' ' LEU . 1.4 mp -48.6 -64.11 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.504 0 C-N-CA 127.349 2.26 . . . . 0.0 111.919 172.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -29.64 70.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.761 -1.212 . . . . 0.0 109.532 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -64.28 -39.83 94.72 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 116.267 -1.825 . . . . 0.0 110.498 170.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG21 ' HB3' ' A' ' 6' ' ' LEU . 2.0 mm -51.83 -48.43 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 122.887 2.585 . . . . 0.0 109.847 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tp -55.94 -57.42 12.18 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -57.48 4.09 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.547 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -39.24 43.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.748 1.619 . . . . 0.0 109.651 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -80.15 -11.99 59.7 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.0 1.32 . . . . 0.0 114.534 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.14 -48.92 71.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.11 -36.32 14.06 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.574 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.57 25.27 3.19 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 119.129 0.877 . . . . 0.0 115.038 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.07 -19.76 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 124.824 1.25 . . . . 0.0 111.226 171.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -130.57 83.13 2.1 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 103.514 -2.773 . . . . 0.0 103.514 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 . . . . . 0 C--O 1.251 1.134 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 157.056 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.961 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 tptt 65.21 -62.98 0.2 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.962 2.505 . . . . 0.0 111.592 -169.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -120.84 -71.74 0.72 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.634 1.974 . . . . 0.0 107.156 173.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t 58.8 -70.19 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.758 2.423 . . . . 0.0 107.812 -148.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.75 -48.41 79.31 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 126.688 1.995 . . . . 0.0 109.741 -164.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 42.0 mt -82.22 -14.35 55.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 119.936 -1.728 . . . . 0.0 113.127 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -9.2 58.7 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.543 1.137 . . . . 0.0 109.985 167.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -87.99 -19.04 27.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 118.455 -0.783 . . . . 0.0 113.045 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.563 ' HB2' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -68.76 163.75 23.35 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 124.164 0.986 . . . . 0.0 109.797 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 44.3 p -82.02 167.59 18.69 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 110.845 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -50.42 -41.29 52.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.634 1.106 . . . . 0.0 111.506 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.66 -46.17 55.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.03 1.332 . . . . 0.0 113.091 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 10' ' ' THR . 2.1 mm-40 -66.5 -38.37 87.1 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.049 -1.032 . . . . 0.0 110.484 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 9' ' ' TYR . 19.5 mt -56.31 -66.2 0.47 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.066 2.147 . . . . 0.0 107.122 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -49.93 -51.17 43.1 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.997 1.272 . . . . 0.0 109.677 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -68.19 -11.12 58.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -46.89 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.105 1.762 . . . . 0.0 108.498 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -78.76 -35.69 44.16 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.865 0.866 . . . . 0.0 110.127 -170.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -37.21 73.95 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.85 1.26 . . . . 0.0 109.059 169.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.31 -51.82 58.11 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 123.916 0.886 . . . . 0.0 109.174 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.2 mmmt -54.96 -58.98 5.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.25 -1.531 . . . . 0.0 107.91 173.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -50.37 13.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 116.456 -1.735 . . . . 0.0 112.375 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.92 -57.68 9.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 117.101 -1.428 . . . . 0.0 109.09 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -46.28 -43.95 16.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 126.171 1.788 . . . . 0.0 111.717 -170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.3 tm? -54.08 -54.57 37.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.993 1.27 . . . . 0.0 110.884 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.7 mtp -62.58 -17.4 60.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.276 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -18.8 13.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.518 1.127 . . . . 0.0 111.195 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 46' ' ' THR . 2.0 mp -75.34 -51.78 12.37 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.916 1.686 . . . . 0.0 107.076 167.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -57.52 -30.56 65.25 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.876 -0.515 . . . . 0.0 110.672 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.43 -39.1 93.58 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.469 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.72 -25.34 49.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 119.985 1.266 . . . . 0.0 107.651 -176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.58 -53.57 22.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.209 0.913 . . . . 0.0 109.411 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -36.33 38.72 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -23.87 52.14 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.696 0.798 . . . . 0.0 112.455 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.16 48.7 3.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 127.211 2.339 . . . . 0.0 110.388 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.51 -54.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.274 1.029 . . . . 0.0 108.771 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.73 116.26 3.94 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 170.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -122.12 39.55 3.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.318 1.047 . . . . 0.0 109.536 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -143.45 101.05 3.72 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 120.815 -1.178 . . . . 0.0 110.302 153.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -62.31 -25.14 67.71 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.479 -0.763 . . . . 0.0 112.653 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -78.36 -18.48 55.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.349 -0.844 . . . . 0.0 112.65 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.11 -51.38 61.65 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 162.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -46.41 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.46 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -47.96 70.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 120.238 1.381 . . . . 0.0 111.954 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.04 -29.23 62.83 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 50' ' ' ILE . 2.3 m -67.12 -52.04 46.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.605 ' HD3' HD21 ' A' ' 25' ' ' LEU . 6.5 mmmt -52.34 -45.3 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 119.889 -1.757 . . . . 0.0 113.875 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -57.37 -47.77 80.77 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.686 1.195 . . . . 0.0 107.969 -174.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.602 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -58.24 -48.18 85.45 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 O-C-N 120.521 -1.362 . . . . 0.0 107.748 177.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.86 95.08 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-O 117.25 -1.357 . . . . 0.0 109.234 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HD2' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -58.22 -61.68 2.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 120.132 1.333 . . . . 0.0 113.441 175.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.9 mt -53.77 -59.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 127.601 2.36 . . . . 0.0 111.801 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.13 71.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.368 -1.458 . . . . 0.0 109.784 -175.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -62.34 -39.37 92.86 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.435 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -52.36 -49.26 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 121.844 2.111 . . . . 0.0 109.728 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tp -55.04 -55.87 26.09 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -50.96 29.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.49 1.116 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.96 -18.26 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 126.451 1.9 . . . . 0.0 111.602 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -85.11 -32.04 23.01 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.582 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.352 1.461 . . . . 0.0 108.923 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.13 -10.62 59.12 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.251 0.932 . . . . 0.0 112.25 178.525 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.14 62.82 5.07 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 124.205 0.907 . . . . 0.0 111.936 -169.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mm -83.41 -26.29 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.8 1.24 . . . . 0.0 110.945 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.17 60.84 1.45 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.4 1.48 . . . . 0.0 108.143 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.536 -1.221 . . . . 0.0 110.457 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -68.13 158.94 32.01 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.711 -0.618 . . . . 0.0 109.78 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . -119.82 -76.19 0.58 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.083 2.153 . . . . 0.0 107.626 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -41.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.926 2.49 . . . . 0.0 112.491 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.44 -55.94 4.68 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 123.123 1.44 . . . . 0.0 108.098 171.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 15.1 mt -80.3 -14.12 58.64 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 120.619 -1.301 . . . . 0.0 114.126 -165.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.37 0.16 53.23 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.939 0.896 . . . . 0.0 110.919 165.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -74.68 -32.38 62.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.394 0.997 . . . . 0.0 111.9 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.586 ' HB2' HD23 ' A' ' 14' ' ' LEU . 78.6 m-85 -54.43 151.46 7.67 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 124.106 0.879 . . . . 0.0 110.146 -174.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -69.3 164.3 23.13 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.561 0.619 . . . . 0.0 110.567 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.4 m-20 -53.0 -34.36 55.95 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.964 1.256 . . . . 0.0 111.734 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.55 -40.03 36.05 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -64.4 -49.45 71.51 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.639 1.109 . . . . 0.0 109.822 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 9' ' ' TYR . 20.1 mt -48.59 -66.84 0.33 Allowed 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 128.147 2.579 . . . . 0.0 107.304 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -50.09 50.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -65.23 -16.96 64.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 112.952 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.64 -36.66 10.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.153 1.781 . . . . 0.0 109.666 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -87.17 -35.24 18.7 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.955 -1.091 . . . . 0.0 108.244 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -34.15 68.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.743 -1.122 . . . . 0.0 109.867 168.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 24.2 tp10 -63.27 -53.96 44.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.81 1.644 . . . . 0.0 110.736 175.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 1.2 mmmm -57.28 -57.21 13.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.22 -2.175 . . . . 0.0 107.42 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -47.75 -44.66 28.3 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 117.772 -1.109 . . . . 0.0 112.809 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 12.6 ptm180 -72.24 -46.23 56.92 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.881 1.219 . . . . 0.0 111.319 177.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -51.46 -47.87 62.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.482 1.513 . . . . 0.0 108.606 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 47' ' ' LYS . 2.0 tm? -57.55 -53.92 52.69 Favored 'General case' 0 C--N 1.333 -0.127 0 O-C-N 120.971 -1.081 . . . . 0.0 110.888 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.2 ttp -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 124.632 1.173 . . . . 0.0 113.113 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -94.35 -30.5 14.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.717 0.77 . . . . 0.0 110.768 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.77 -43.53 75.56 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -61.09 -29.59 69.84 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.821 -1.174 . . . . 0.0 111.026 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.7 -37.95 79.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.656 1.183 . . . . 0.0 111.05 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.7 -42.72 63.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.68 -46.24 90.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.041 0.936 . . . . 0.0 110.154 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.66 -27.42 69.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.237 1.015 . . . . 0.0 112.399 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.9 mmt -85.55 -7.69 58.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.232 1.013 . . . . 0.0 111.829 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.15 33.71 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 125.292 1.425 . . . . 0.0 110.485 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -115.95 -35.5 4.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -65.53 132.19 48.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.753 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 37' ' ' LEU . 3.2 tmtp? -53.52 -48.96 68.54 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.514 1.526 . . . . 0.0 114.494 -172.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -149.96 145.32 26.39 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.027 1.285 . . . . 0.0 111.538 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 p -62.03 -31.15 71.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.626 1.571 . . . . 0.0 113.573 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -60.54 -28.34 68.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.48 -0.762 . . . . 0.0 111.229 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 37' ' ' LEU . 27.4 tp -62.69 -46.53 87.71 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 174.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -56.12 16.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 120.572 1.533 . . . . 0.0 108.104 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -43.46 46.05 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.707 1.594 . . . . 0.0 112.41 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.97 -46.57 67.78 Favored 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 128.556 2.742 . . . . 0.0 109.246 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -67.55 -48.4 67.06 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' CB ' HD23 ' A' ' 25' ' ' LEU 0.387 0.0 OUTLIER -63.81 -29.33 70.54 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.473 2.309 . . . . 0.0 114.713 179.892 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 11.7 ptt85 -57.29 -46.04 83.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 170.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.13 -40.81 64.6 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.126 1.77 . . . . 0.0 107.223 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.73 -55.46 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.247 0 CA-C-N 121.191 1.814 . . . . 0.0 107.241 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.76 -0.24 17.57 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.454 -171.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -65.45 1.01 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.241 1.416 . . . . 0.0 111.379 160.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 HD22 ' A' ' 18' ' ' LEU . 1.6 mp -51.86 -60.46 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 128.262 2.625 . . . . 0.0 111.96 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -33.44 61.93 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.53 -0.731 . . . . 0.0 109.944 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 m -74.69 -28.34 60.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.434 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -54.2 -45.45 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 122.425 2.375 . . . . 0.0 110.419 172.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HB2' HD12 ' A' ' 18' ' ' LEU . 9.5 tp -58.84 -53.43 58.51 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.856 0.722 . . . . 0.0 109.059 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -52.62 16.94 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.378 1.071 . . . . 0.0 111.038 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.72 -22.45 65.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.943 1.697 . . . . 0.0 111.598 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -86.79 -19.74 28.6 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.338 -1.315 . . . . 0.0 112.864 172.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.18 -57.21 9.11 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -30.19 63.36 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.11 63.65 1.37 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -169.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.24 -29.44 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 129.419 3.088 . . . . 0.0 109.532 167.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.68 11.55 35.86 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -172.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.104 -1.427 . . . . 0.0 111.334 -141.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.3 mttt 63.37 -179.89 0.15 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.02 0.928 . . . . 0.0 113.487 149.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.99 -80.41 0.63 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 121.219 -0.926 . . . . 0.0 112.721 164.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m 41.47 -15.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.665 3.186 . . . . 0.0 118.681 -144.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.723 ' HG3' HD22 ' A' ' 6' ' ' LEU . 15.6 pt-20 -101.08 -57.3 2.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 170.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -74.08 -15.15 61.07 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.167 -1.583 . . . . 0.0 113.737 -169.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -17.99 25.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 120.976 1.716 . . . . 0.0 111.11 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -80.85 -23.15 39.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.826 -166.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 94.1 m-85 -61.43 162.23 8.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 118.289 0.495 . . . . 0.0 111.626 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -74.21 162.73 28.64 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.397 -0.815 . . . . 0.0 110.117 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.59 -25.85 40.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.867 1.212 . . . . 0.0 112.98 -174.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.24 -47.61 10.62 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.307 0.643 . . . . 0.0 111.836 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.31 -40.86 83.15 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 11' ' ' ASP . 36.5 mt -51.41 -68.98 0.12 Allowed 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 127.575 2.35 . . . . 0.0 108.463 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.42 64.78 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 117.325 -1.322 . . . . 0.0 109.687 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -72.62 -2.32 19.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.855 1.207 . . . . 0.0 112.409 -174.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -54.75 3.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 164.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.41 -22.75 40.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.921 -0.487 . . . . 0.0 110.685 -159.65 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.69 -51.69 46.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 111.281 158.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -54.12 50.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.532 1.06 . . . . 0.0 111.038 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 29.5 mmmt -57.44 -57.42 12.76 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 45.5 pttt -52.54 -41.74 63.79 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.909 1.686 . . . . 0.0 111.675 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -66.1 -50.26 64.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 121.208 1.822 . . . . 0.0 110.592 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -47.39 33.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.777 1.631 . . . . 0.0 111.028 -175.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -54.2 -50.32 67.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.024 -1.048 . . . . 0.0 111.921 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtp -72.54 -20.46 61.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.714 1.206 . . . . 0.0 112.538 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.93 -38.75 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.636 1.974 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.99 -39.93 79.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 120.305 -1.497 . . . . 0.0 108.651 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -62.96 -22.95 67.17 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.908 -1.745 . . . . 0.0 112.279 172.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -73.21 -43.35 61.44 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.4 0.68 . . . . 0.0 109.679 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.39 -34.19 75.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 119.973 1.26 . . . . 0.0 109.244 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.88 -54.88 27.89 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 119.764 1.165 . . . . 0.0 110.796 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.75 -36.28 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 113.938 -1.483 . . . . 0.0 110.104 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.4 mmt -86.5 -11.17 52.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.159 0.984 . . . . 0.0 113.099 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.73 45.24 9.55 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 126.399 1.952 . . . . 0.0 110.547 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -127.17 -21.6 3.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.592 1.557 . . . . 0.0 109.911 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -75.47 113.55 13.0 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 113.385 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 80.26 1.79 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.311 1.044 . . . . 0.0 111.639 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 69.46 119.22 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.88 2.872 . . . . 0.0 115.573 171.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.0 m -65.95 -4.54 7.21 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.045 2.538 . . . . 0.0 115.821 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -35.96 69.72 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 121.346 1.885 . . . . 0.0 110.788 164.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.46 -38.83 88.22 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.199 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -55.3 16.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.726 1.148 . . . . 0.0 109.212 172.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -45.21 65.03 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 120.204 1.366 . . . . 0.0 110.863 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.01 -12.62 60.17 Favored 'General case' 0 N--CA 1.433 -1.279 0 O-C-N 121.635 -0.666 . . . . 0.0 109.925 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 50' ' ' ILE . 93.2 m -87.98 -51.34 5.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.418 1.487 . . . . 0.0 108.419 175.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.414 0.0 OUTLIER -54.45 -33.39 59.46 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 122.476 2.398 . . . . 0.0 115.033 174.037 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -52.23 -45.98 65.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.24 0.927 . . . . 0.0 109.895 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' HE3' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.63 -44.02 21.76 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 126.342 1.857 . . . . 0.0 107.284 -174.528 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -56.96 -49.97 77.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -4.01 32.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.478 1.035 . . . . 0.0 112.869 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -64.95 1.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.097 1.359 . . . . 0.0 110.64 164.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 18' ' ' LEU . 4.2 mp -56.51 -57.45 9.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 126.098 1.759 . . . . 0.0 110.325 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -36.22 70.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.844 0.747 . . . . 0.0 109.89 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -63.91 -37.13 86.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 116.829 -1.558 . . . . 0.0 111.124 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -56.56 -44.7 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.754 2.07 . . . . 0.0 111.438 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -55.54 32.69 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.8 -53.53 24.7 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 125.674 1.59 . . . . 0.0 112.153 -178.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.75 -49.15 29.17 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.269 2.228 . . . . 0.0 109.029 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.36 -17.37 62.43 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.365 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.15 -52.5 27.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.176 1.353 . . . . 0.0 107.779 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -90.73 -9.42 46.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.628 1.104 . . . . 0.0 112.212 -175.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 44.51 43.33 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mt -83.33 144.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 103.622 -2.732 . . . . 0.0 103.622 154.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 145.02 121.31 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.747 1 C-N-CA 136.02 5.728 . . . . 0.0 103.69 174.457 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.247 0.939 0 O-C-N 124.129 0.893 . . . . 0.0 109.844 160.245 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 172.55 0.42 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.45 -0.781 . . . . 0.0 111.697 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.4 2.09 10.21 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.549 -1.691 . . . . 0.0 114.323 171.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.0 m -51.33 -27.08 8.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 122.136 2.243 . . . . 0.0 113.642 -166.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 7.6 pt-20 -62.16 -70.3 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.279 2.632 . . . . 0.0 112.475 161.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.64 -39.4 93.75 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 119.736 -1.852 . . . . 0.0 113.794 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -8.04 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.76 1.224 . . . . 0.0 111.658 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -16.65 53.96 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.42 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.54 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.274 31.7 m-85 -64.94 153.32 40.82 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 119.473 1.033 . . . . 0.0 109.3 -177.6 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.18 162.12 29.91 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.665 -0.647 . . . . 0.0 109.295 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -54.38 -25.58 25.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.694 1.133 . . . . 0.0 112.133 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -48.85 11.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.038 1.735 . . . . 0.0 111.868 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.39 -40.65 97.81 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 118.977 0.808 . . . . 0.0 110.44 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 9' ' ' TYR . 31.3 mt -53.73 -64.52 0.8 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 126.599 1.96 . . . . 0.0 106.901 -176.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -44.58 72.54 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.305 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -72.31 -2.54 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.684 1.129 . . . . 0.0 112.96 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.5 -50.59 2.94 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 127.838 2.455 . . . . 0.0 108.161 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -73.67 -31.36 63.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.49 -0.756 . . . . 0.0 109.391 -178.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.35 -30.66 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.929 168.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.58 -56.04 8.44 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.441 1.096 . . . . 0.0 110.41 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.2 mmmt -53.43 -59.98 3.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -45.62 -47.07 14.79 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 116.401 -1.761 . . . . 0.0 112.787 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -67.33 -54.47 20.34 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 116.414 -1.755 . . . . 0.0 108.634 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -44.54 -41.75 6.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 121.068 1.758 . . . . 0.0 111.548 -173.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 47' ' ' LYS . 39.2 tp -54.47 -55.48 28.52 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.564 -1.335 . . . . 0.0 112.18 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.6 mmm -68.31 -21.37 64.77 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.52 -42.38 9.74 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 124.588 1.155 . . . . 0.0 108.362 -172.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 HG21 ' A' ' 46' ' ' THR . 74.3 mt -67.86 -40.56 83.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.326 -1.484 . . . . 0.0 108.544 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -58.79 -27.75 65.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.325 -1.485 . . . . 0.0 111.529 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -79.4 -27.62 41.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.495 1.118 . . . . 0.0 110.935 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.43 -32.83 70.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 121.751 2.069 . . . . 0.0 106.995 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HD22 ' A' ' 37' ' ' LEU . 15.8 tp -70.44 -43.88 69.0 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 118.537 0.608 . . . . 0.0 110.802 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.21 68.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.435 0.694 . . . . 0.0 110.732 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -50.39 20.6 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 109.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 40.29 0.58 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.168 1.365 . . . . 0.0 111.482 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 -25.04 2.73 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.724 1.21 . . . . 0.0 110.706 -168.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD22 HD13 ' A' ' 32' ' ' LEU . 6.9 tt -52.41 148.15 7.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.563 1.145 . . . . 0.0 112.715 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -118.03 126.12 51.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.116 1.367 . . . . 0.0 107.745 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m120 47.0 98.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 130.082 3.353 . . . . 0.0 113.174 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.5 p -56.77 -21.06 25.68 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.819 -1.176 . . . . 0.0 112.215 172.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 m -53.86 -30.34 45.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.664 1.186 . . . . 0.0 111.883 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -43.01 39.46 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.912 1.285 . . . . 0.0 110.796 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -43.26 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.876 1.216 . . . . 0.0 110.499 171.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -55.67 13.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 127.174 2.19 . . . . 0.0 112.274 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.57 -37.91 79.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 126.094 1.757 . . . . 0.0 109.043 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.577 HG22 HD13 ' A' ' 50' ' ' ILE . 87.1 m -67.44 -46.54 72.81 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -173.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HD2' ' CD1' ' A' ' 25' ' ' LEU 0.304 0.0 OUTLIER -60.42 -33.52 72.64 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 118.883 -2.386 . . . . 0.0 115.187 175.591 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -62.45 -47.1 85.53 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.7 -35.27 52.28 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.121 0.888 . . . . 0.0 110.054 -170.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -55.58 -50.82 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 169.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.74 37.08 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.101 -1.039 . . . . 0.0 112.72 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -65.16 1.05 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.871 2.068 . . . . 0.0 108.745 167.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 21' ' ' LYS . 4.0 mp -58.05 -54.31 33.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 O-C-N 121.186 -0.946 . . . . 0.0 111.911 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.668 1.576 . . . . 0.0 110.28 -176.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 m -62.14 -39.41 92.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.487 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.74 -39.9 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.251 1.841 . . . . 0.0 109.954 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.99 -49.65 76.1 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.06 -42.27 98.17 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.027 0.931 . . . . 0.0 110.241 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.68 -26.54 56.81 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.548 1.539 . . . . 0.0 112.621 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mtp-105 -94.9 -16.78 22.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.627 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -68.91 -63.83 0.99 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.78 -16.46 58.36 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.531 1.514 . . . . 0.0 113.062 -172.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.51 68.84 1.48 Allowed Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -168.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.15 -24.8 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.492 1.117 . . . . 0.0 110.163 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -138.2 14.34 2.82 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 125.471 1.508 . . . . 0.0 111.494 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 163.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.199 -0.296 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? 57.76 172.23 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.329 1.451 . . . . 0.0 111.528 -160.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.04 1.07 51.72 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 125.433 1.493 . . . . 0.0 111.343 173.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -40.14 -31.68 0.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 120.311 1.414 . . . . 0.0 112.985 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.99 -28.16 39.52 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -101.89 -43.1 5.91 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 125.053 1.341 . . . . 0.0 110.598 -171.05 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -11.31 43.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.827 0.739 . . . . 0.0 110.61 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -9.67 58.76 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 116.438 -1.744 . . . . 0.0 113.178 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.681 ' HB2' HD13 ' A' ' 14' ' ' LEU . 80.0 m-85 -84.98 168.98 14.46 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.469 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 49.9 p -95.7 155.91 16.55 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-O 116.021 -1.943 . . . . 0.0 107.084 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -33.64 -44.39 0.15 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 129.353 3.061 . . . . 0.0 112.06 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.77 -47.96 23.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.761 -1.108 . . . . 0.0 113.729 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' H ' ' A' ' 10' ' ' THR . 13.3 mt-10 -64.7 -31.8 73.18 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.08 172.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -57.62 -65.55 0.61 Allowed 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 179.435 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -41.85 76.03 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 120.536 1.517 . . . . 0.0 110.599 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.8 -7.62 35.79 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.56 -43.78 5.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 127.512 2.325 . . . . 0.0 107.602 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD22 HG23 ' A' ' 53' ' ' ILE . 1.7 mt -83.7 -25.74 30.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 120.881 -1.137 . . . . 0.0 109.961 -168.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -41.57 95.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.638 162.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -69.63 -45.82 67.63 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.261 1.024 . . . . 0.0 110.548 -173.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.79 -58.17 9.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -45.92 49.23 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.164 1.802 . . . . 0.0 112.113 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -66.83 -44.91 79.85 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 116.816 -1.564 . . . . 0.0 111.729 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -48.8 -49.89 36.82 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 119.97 1.259 . . . . 0.0 108.69 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.66 -53.46 30.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.632 0.651 . . . . 0.0 111.251 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttt -57.73 -32.21 67.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.818 1.647 . . . . 0.0 114.4 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.57 -40.66 10.66 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.204 1.001 . . . . 0.0 110.723 -172.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 46' ' ' THR . 94.8 mt -59.49 -46.97 87.28 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.343 1.057 . . . . 0.0 109.504 170.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.14 -22.62 64.86 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.634 -1.291 . . . . 0.0 112.313 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.76 -31.7 52.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.674 1.19 . . . . 0.0 110.202 173.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -74.96 -33.75 61.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 121.413 1.915 . . . . 0.0 107.059 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.71 -54.72 43.75 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 124.182 0.993 . . . . 0.0 111.058 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.62 -36.24 69.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.916 0.886 . . . . 0.0 110.498 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.5 mmt -75.26 -12.33 60.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.367 1.067 . . . . 0.0 112.496 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.3 13.5 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 127.854 2.645 . . . . 0.0 111.431 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.73 -23.53 8.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.678 1.239 . . . . 0.0 111.57 -165.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 43' ' ' ILE . 3.2 tt -82.62 115.58 21.64 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.837 1.255 . . . . 0.0 111.741 172.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -24.78 -77.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -172.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -160.3 44.1 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.132 0.573 . . . . 0.0 110.437 -167.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.6 p 53.09 -8.82 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 128.482 2.713 . . . . 0.0 117.62 -175.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -57.02 -42.3 80.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 120.742 1.61 . . . . 0.0 110.385 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.96 0.904 . . . . 0.0 109.348 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -57.75 -43.7 84.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 119.27 0.941 . . . . 0.0 110.749 173.238 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -44.05 86.81 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 120.499 1.499 . . . . 0.0 109.295 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.55 -17.47 62.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.83 1.652 . . . . 0.0 112.917 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.489 HG21 HD12 ' A' ' 28' ' ' LEU . 3.5 m -83.47 -54.79 4.7 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 170.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -49.46 -42.9 44.42 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.188 2.195 . . . . 0.0 112.911 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.92 70.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 119.304 0.956 . . . . 0.0 111.268 176.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -38.15 48.13 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.91 -41.52 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 120.901 1.682 . . . . 0.0 108.915 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.2 80.25 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.605 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -59.98 4.35 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.043 1.292 . . . . 0.0 111.919 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.736 HG23 HD22 ' A' ' 18' ' ' LEU . 3.1 mp -55.53 -54.43 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 124.933 1.293 . . . . 0.0 111.269 177.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -35.0 78.24 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.975 -1.703 . . . . 0.0 109.257 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -56.52 -44.68 81.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 116.622 -1.656 . . . . 0.0 110.047 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -50.59 -55.59 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 116.518 -1.706 . . . . 0.0 107.547 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tt -55.31 -49.06 73.13 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 119.645 1.111 . . . . 0.0 108.997 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -47.26 74.27 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.316 0.962 . . . . 0.0 111.489 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.57 -38.99 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.084 0.954 . . . . 0.0 110.93 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -70.67 -26.57 63.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.224 1.01 . . . . 0.0 112.031 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.94 -52.47 49.48 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -20.8 46.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.37 0.986 . . . . 0.0 112.471 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.79 18.36 54.65 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.038 -0.868 . . . . 0.0 113.52 -173.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -55.0 -36.89 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.784 1.634 . . . . 0.0 111.433 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -97.45 21.33 10.32 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.635 1.174 . . . . 0.0 111.39 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 . . . . . 0 C--O 1.255 1.358 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -158.306 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.413 0.149 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.35 137.25 54.78 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.072 0.858 . . . . 0.0 109.215 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.489 ' CB ' HD11 ' A' ' 56' ' ' ILE . . . -80.46 1.55 28.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.168 0.918 . . . . 0.0 109.215 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 9.7 p -40.43 -27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.062 0.851 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 7.7 pt-20 -89.38 -41.3 12.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HG13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -72.12 -49.64 34.4 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.655 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -76.1 -0.08 20.64 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.485 177.772 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 4' ' ' SER . 1.4 t30 -75.52 -4.75 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 109.582 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' A' ' 17' ' ' LEU . 70.3 m-85 -104.27 167.4 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 111.58 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 p -85.23 148.8 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER -38.17 -50.52 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.838 0.711 . . . . 0.0 109.382 -179.563 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -59.45 -44.31 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.255 0.972 . . . . 0.0 110.651 179.357 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.33 -43.36 77.69 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.106 0.879 . . . . 0.0 110.457 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.538 ' CD1' ' CG ' ' A' ' 14' ' ' LEU . 1.7 mm? -42.74 -67.25 0.29 Allowed 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.044 0.84 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -53.57 -41.93 67.04 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.999 0.812 . . . . 0.0 109.168 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 2.2 t30 -68.4 -5.58 19.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.162 0.914 . . . . 0.0 109.36 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -108.84 -36.92 6.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -83.37 -42.4 17.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.06 0.85 . . . . 0.0 108.952 -179.1 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.71 -28.95 36.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.196 0.935 . . . . 0.0 110.193 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 10.8 tt0 -80.11 -32.2 39.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.248 0.968 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.852 ' HE2' HD13 ' A' ' 53' ' ' ILE . 26.8 mmmt -76.15 -56.13 4.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -57.68 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.296 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -59.41 -45.03 92.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.35 1.031 . . . . 0.0 110.118 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.463 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -44.51 -58.51 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.052 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -47.93 -50.96 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.942 0.776 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 tpt -64.96 -24.91 67.66 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.589 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -84.56 -33.86 23.36 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.987 0.804 . . . . 0.0 109.852 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.735 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -71.24 -50.11 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.573 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -58.17 -28.58 64.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.22 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.1 -29.36 66.3 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -72.88 -51.01 20.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.19 0.931 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.755 ' CD2' HG22 ' A' ' 40' ' ' THR . 13.9 tp -55.33 -51.98 64.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.06 0.85 . . . . 0.0 109.646 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.81 -31.89 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.789 1.306 . . . . 0.0 109.526 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.108 0.88 . . . . 0.0 111.191 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.91 45.05 1.14 Allowed Glycine 0 C--O 1.223 -0.575 0 O-C-N 124.229 0.955 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -121.97 -38.29 2.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.064 0.508 . . . . 0.0 110.13 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 28' ' ' LEU . 1.4 tt -46.72 166.51 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.097 0.873 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.682 ' N ' HD23 ' A' ' 37' ' ' LEU . 4.3 tttm -123.64 79.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.053 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.03 121.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.272 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.755 HG22 ' CD2' ' A' ' 32' ' ' LEU . 44.8 p -54.79 -28.16 47.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.222 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -39.86 -35.94 0.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 42' ' ' LEU . 7.6 tt -64.68 -53.32 49.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.718 1.261 . . . . 0.0 109.299 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -50.0 -61.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.02 0.825 . . . . 0.0 109.199 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.7 -38.84 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.078 0.861 . . . . 0.0 109.182 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 45' ' ' LEU . 12.2 mt -72.35 -39.97 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.166 0.916 . . . . 0.0 109.583 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.752 HG22 HD13 ' A' ' 50' ' ' ILE . 1.5 m -70.2 -36.84 74.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 123.784 0.678 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 42.6 tptt -63.43 -55.22 26.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.02 0.825 . . . . 0.0 108.971 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 4.3 ptm180 -44.56 -33.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.841 ' O ' HD12 ' A' ' 53' ' ' ILE . 2.1 m-20 -87.99 -34.31 18.09 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.612 1.195 . . . . 0.0 108.852 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 46' ' ' THR . 0.3 OUTLIER -66.21 -48.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.4 70.71 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.68 -50.78 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.514 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.009 HG23 HD22 ' A' ' 18' ' ' LEU . 1.4 mp -67.18 -51.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.83 -17.27 22.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 123.849 0.718 . . . . 0.0 109.359 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -82.74 -42.33 18.14 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.291 0.994 . . . . 0.0 110.446 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.773 HG13 HD23 ' A' ' 6' ' ' LEU . 2.2 mm -47.14 -49.14 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.35 1.031 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.936 ' HB2' HD12 ' A' ' 18' ' ' LEU . 3.6 tp -56.33 -52.37 64.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.357 1.035 . . . . 0.0 109.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.6 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -54.35 -36.55 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.82 0.7 . . . . 0.0 110.334 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.11 -36.93 83.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.295 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -95.5 0.35 53.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.561 ' C ' HD13 ' A' ' 62' ' ' LEU . 4.9 mt-10 -74.72 -50.56 17.04 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.221 0.951 . . . . 0.0 109.51 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.891 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -89.64 -60.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 108.732 -178.559 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.32 42.82 0.02 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.9 mm -88.04 -14.54 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -138.28 34.66 2.3 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.941 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 . . . . . 0 N--CA 1.444 -0.752 0 O-C-N 124.593 1.183 . . . . 0.0 110.437 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m 49.47 -70.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 127.73 2.412 . . . . 0.0 109.406 -141.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.86 -51.1 71.01 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.135 1.374 . . . . 0.0 109.178 -166.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.42 -13.71 62.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.24 -12.16 18.2 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 119.812 1.187 . . . . 0.0 112.923 165.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -84.46 -23.84 29.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.27 1.428 . . . . 0.0 112.171 -170.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.7 m-85 -58.41 162.55 3.63 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 118.924 0.784 . . . . 0.0 110.249 171.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 p -80.58 163.68 23.49 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.4 -0.813 . . . . 0.0 109.668 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 m-20 -57.05 -26.9 61.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.476 1.489 . . . . 0.0 112.76 -172.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.65 -39.4 31.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.732 2.013 . . . . 0.0 112.429 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.9 -46.64 65.0 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.005 -1.059 . . . . 0.0 110.757 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' ASP . 33.1 mt -53.85 -57.89 9.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.937 1.695 . . . . 0.0 108.347 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -50.61 59.95 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.221 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.36 -11.79 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.53 -46.68 4.68 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.071 0.939 . . . . 0.0 108.874 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -75.1 -31.26 61.11 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.222 -173.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -57.0 -42.41 80.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.154 0.909 . . . . 0.0 109.893 165.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.49 -48.51 74.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.166 0.987 . . . . 0.0 109.804 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.5 mmmt -55.88 -62.12 1.91 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 125.546 1.539 . . . . 0.0 108.255 171.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -47.61 -50.23 24.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 116.593 -1.67 . . . . 0.0 112.463 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -60.14 -55.78 29.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.162 1.347 . . . . 0.0 109.567 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.38 -49.55 13.0 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 126.359 1.863 . . . . 0.0 111.083 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.9 tm? -56.14 -50.57 70.74 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.8 mtt -64.72 -28.55 69.67 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.759 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -84.75 -35.83 22.17 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.673 1.124 . . . . 0.0 109.091 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.02 -49.26 70.87 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.06 0.944 . . . . 0.0 109.093 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -57.04 -36.67 70.76 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.016 -1.052 . . . . 0.0 111.115 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.87 -26.67 67.75 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.254 1.021 . . . . 0.0 111.374 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -81.06 -36.0 31.06 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 120.895 1.68 . . . . 0.0 108.091 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.6 -53.45 34.26 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.719 1.207 . . . . 0.0 109.754 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.36 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.509 1.924 . . . . 0.0 111.942 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp -82.55 -74.59 0.34 Allowed 'General case' 0 N--CA 1.432 -1.349 0 C-N-CA 123.07 0.548 . . . . 0.0 111.46 161.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.33 49.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.486 0 C-N-CA 124.956 1.265 . . . . 0.0 111.957 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -120.73 -60.1 1.69 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.146 1.778 . . . . 0.0 108.664 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 38' ' ' LYS . 14.3 tp -62.75 144.59 56.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.174 0.99 . . . . 0.0 109.07 171.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.502 ' H ' HD12 ' A' ' 37' ' ' LEU . 55.8 tttt -141.5 -24.62 0.71 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -86.73 101.59 13.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.589 1.086 . . . . 0.0 109.955 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.2 p -81.93 -21.49 37.25 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 120.892 -1.13 . . . . 0.0 113.337 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 m -60.4 -38.92 85.5 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 119.224 0.92 . . . . 0.0 109.303 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.07 -49.68 74.97 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.35 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 119.675 1.125 . . . . 0.0 110.306 173.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.9 85.21 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.332 1.053 . . . . 0.0 112.943 -170.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.52 -43.68 89.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.641 2.376 . . . . 0.0 109.674 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 50' ' ' ILE . 45.2 m -61.9 -42.43 99.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HD3' HD21 ' A' ' 25' ' ' LEU . 5.3 mmmm -54.56 -42.62 71.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 121.392 1.906 . . . . 0.0 114.063 173.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -45.91 90.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -174.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -82.53 -33.77 28.09 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.576 -173.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.465 HD13 HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -52.97 -50.06 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.293 0 O-C-N 119.891 -1.755 . . . . 0.0 107.776 166.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.01 73.33 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.089 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -55.72 -57.64 11.16 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 120.555 1.525 . . . . 0.0 113.145 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.507 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.1 mt -54.03 -55.85 12.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.449 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.64 67.22 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.153 -1.592 . . . . 0.0 110.406 -176.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -62.76 -47.76 82.11 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.336 164.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mm -51.63 -49.85 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 120.887 1.676 . . . . 0.0 108.191 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -54.22 -53.07 58.6 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.175 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -56.23 11.12 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.302 0.956 . . . . 0.0 110.668 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.01 -40.03 63.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.277 1.431 . . . . 0.0 109.589 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -70.51 -29.33 65.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.544 0.737 . . . . 0.0 112.009 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -62.35 -55.48 27.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.051 0.94 . . . . 0.0 109.336 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -23.33 50.95 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.168 1.349 . . . . 0.0 113.811 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.78 2.95 14.19 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.717 -1.046 . . . . 0.0 113.818 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 N--CA 1.449 -0.508 0 CA-C-N 120.276 2.038 . . . . 0.0 110.433 -178.781 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 115.72 -2.086 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 m -46.21 -39.62 10.07 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 122.074 2.215 . . . . 0.0 110.892 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.35 -60.72 2.88 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.713 1.605 . . . . 0.0 112.947 172.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.68 -47.03 61.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 125.547 1.539 . . . . 0.0 109.637 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.78 63.33 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.888 0.875 . . . . 0.0 111.247 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -19.74 60.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 118.224 -0.893 . . . . 0.0 112.644 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.268 38.5 m-85 -65.86 161.22 21.57 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 119.616 1.098 . . . . 0.0 109.405 -178.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.63 160.59 25.02 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.19 -35.63 60.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.66 1.573 . . . . 0.0 112.272 -171.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.09 -51.28 40.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.549 1.54 . . . . 0.0 112.197 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.37 -37.9 89.05 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.075 -1.015 . . . . 0.0 111.868 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 11' ' ' ASP . 32.4 mt -53.48 -65.61 0.53 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.464 1.505 . . . . 0.0 107.367 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -41.96 79.98 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 116.911 -1.518 . . . . 0.0 111.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -65.11 -15.4 62.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 120.367 1.44 . . . . 0.0 113.163 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.39 -43.49 5.92 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.582 HD22 HG23 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -77.97 -28.98 49.55 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -172.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -59.81 -36.38 76.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.904 164.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.0 -51.5 61.32 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.772 0.715 . . . . 0.0 110.789 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE2' HD13 ' A' ' 53' ' ' ILE . 25.4 mmmt -56.77 -56.95 15.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 120.547 -1.346 . . . . 0.0 107.512 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -48.21 -42.73 30.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 115.964 -1.97 . . . . 0.0 113.76 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -70.3 -50.36 40.16 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.836 2.107 . . . . 0.0 110.044 173.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -45.98 -44.93 15.39 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 126.87 2.068 . . . . 0.0 111.046 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.47 -54.88 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.001 -1.062 . . . . 0.0 111.752 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 53.1 mtt -65.7 -26.89 67.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.229 0.612 . . . . 0.0 112.368 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.56 -36.52 22.07 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.115 2.166 . . . . 0.0 111.077 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.59 -51.81 13.52 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -54.71 -31.87 58.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.473 0.578 . . . . 0.0 110.645 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -67.59 -36.27 80.56 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.404 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -77.9 -20.94 52.0 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 121.709 2.05 . . . . 0.0 108.491 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.93 -55.72 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.351 1.06 . . . . 0.0 110.429 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.44 20.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.632 1.973 . . . . 0.0 111.649 176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -75.8 0.19 Allowed 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 124.036 0.934 . . . . 0.0 109.425 165.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.3 31.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 114.731 0.653 . . . . 0.0 114.731 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -112.95 -37.01 4.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.538 2.735 . . . . 0.0 109.498 -164.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.68 123.88 22.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.039 1.736 . . . . 0.0 109.81 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -70.59 -36.26 73.47 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -166.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -155.84 162.46 40.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.453 1.479 . . . . 0.0 111.252 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -102.8 -13.14 17.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -63.36 -31.4 72.54 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 120.113 1.324 . . . . 0.0 110.534 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.94 -56.32 20.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.95 -44.58 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.631 0.772 . . . . 0.0 110.856 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -43.11 95.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.144 0.978 . . . . 0.0 112.441 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -30.49 70.06 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.884 1.674 . . . . 0.0 107.658 174.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HD13 ' A' ' 50' ' ' ILE . 3.4 m -66.29 -54.46 24.5 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.68 -1.263 . . . . 0.0 108.509 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.426 0.0 OUTLIER -57.42 -23.64 50.71 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.357 1.89 . . . . 0.0 114.98 176.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -70.38 -48.58 55.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.606 1.548 . . . . 0.0 107.899 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.54 77.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.653 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.93 -50.91 76.3 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 119.755 1.161 . . . . 0.0 107.952 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.67 -4.75 32.99 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 119.077 0.853 . . . . 0.0 112.457 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -64.47 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.217 1.407 . . . . 0.0 108.903 165.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.582 HG23 HD22 ' A' ' 18' ' ' LEU . 2.0 mp -54.01 -54.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 125.403 1.481 . . . . 0.0 112.061 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -23.06 67.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 119.193 0.906 . . . . 0.0 111.248 -175.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -76.2 -43.25 43.26 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.584 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mm -46.35 -49.32 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.716 1.598 . . . . 0.0 111.467 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -52.57 -59.4 4.49 Favored 'General case' 0 C--O 1.223 -0.313 0 O-C-N 124.426 1.079 . . . . 0.0 108.424 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -50.0 59.49 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.252 1.421 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.22 -37.96 56.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.844 1.258 . . . . 0.0 111.911 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -69.8 -35.28 74.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.31 -55.18 36.83 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 125.524 1.765 . . . . 0.0 108.986 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -54.61 12.31 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.035 0.38 . . . . 0.0 111.3 -174.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.11 -3.75 0.58 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 -161.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm . . . . . 0 C--O 1.236 0.387 0 CA-C-N 119.381 1.59 . . . . 0.0 110.628 -171.423 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 m 62.82 -60.82 0.13 Allowed 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 127.386 2.274 . . . . 0.0 110.248 -147.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.92 -46.69 42.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.921 1.343 . . . . 0.0 109.847 -166.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 28.6 mt -81.16 -9.99 59.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.624 1.169 . . . . 0.0 111.962 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -3.64 39.77 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.33 -1.481 . . . . 0.0 110.639 165.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.2 -37.84 23.09 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 117.115 -1.421 . . . . 0.0 110.518 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.871 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.336 14.1 m-85 -73.25 172.13 11.73 Favored 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 124.086 0.866 . . . . 0.0 110.42 -174.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' HD22 ' A' ' 14' ' ' LEU . 68.7 p -84.55 150.89 24.92 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -38.32 -38.34 0.35 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.207 1.803 . . . . 0.0 110.303 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.9 -41.38 91.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.06 1.744 . . . . 0.0 113.835 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.74 -39.58 35.8 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.35 1.86 . . . . 0.0 111.019 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.871 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -53.92 -66.59 0.37 Allowed 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 125.467 1.507 . . . . 0.0 107.831 173.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -45.85 29.5 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.783 1.628 . . . . 0.0 111.119 -174.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -68.19 -14.87 63.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.0 -44.72 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.527 1.531 . . . . 0.0 108.829 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.73 -32.59 57.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -171.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.51 -36.76 71.97 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.209 0.943 . . . . 0.0 110.294 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.49 -51.01 65.18 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 122.983 0.513 . . . . 0.0 109.766 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.6 mmmt -59.23 -56.87 16.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -46.94 -47.57 21.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 116.848 -1.548 . . . . 0.0 111.811 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -66.08 -53.33 39.59 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 119.436 1.017 . . . . 0.0 111.122 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.02 -41.6 59.91 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 119.833 1.197 . . . . 0.0 111.402 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 tp -53.57 -52.64 59.09 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.081 1.31 . . . . 0.0 110.836 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.4 mtp -65.88 -24.85 66.95 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.764 0.825 . . . . 0.0 113.086 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.24 -40.32 10.5 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.816 -1.177 . . . . 0.0 109.418 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.61 -38.61 91.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 119.915 -1.74 . . . . 0.0 109.786 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm85 -65.35 -23.69 67.06 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.251 -0.906 . . . . 0.0 111.274 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -73.79 -36.97 65.08 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.274 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -76.01 -34.22 59.7 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 121.297 1.862 . . . . 0.0 107.125 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.4 tm? -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.777 1.631 . . . . 0.0 111.129 172.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.09 69.45 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.636 1.174 . . . . 0.0 111.318 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -74.11 -26.31 60.27 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.756 0.822 . . . . 0.0 111.679 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.36 19.0 8.65 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 126.409 1.957 . . . . 0.0 114.235 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -111.8 -28.35 8.11 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 119.535 1.668 . . . . 0.0 111.985 -163.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 84.94 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.89 2.076 . . . . 0.0 111.24 172.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -84.33 -2.66 57.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.451 -165.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -127.59 96.61 4.59 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 120.256 1.389 . . . . 0.0 109.7 166.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -61.87 -20.65 63.94 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 m -62.72 -29.66 70.84 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 119.727 1.148 . . . . 0.0 111.889 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.52 -46.69 87.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.178 0.899 . . . . 0.0 108.817 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.63 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 118.613 0.642 . . . . 0.0 109.433 173.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -40.72 70.52 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.317 1.047 . . . . 0.0 112.252 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.76 -32.91 70.22 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.596 1.558 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 HD13 ' A' ' 50' ' ' ILE . 85.3 m -72.41 -49.16 35.78 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.002 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER -56.85 -29.12 62.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 122.445 2.384 . . . . 0.0 115.45 174.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -65.58 -39.56 91.75 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.28 -33.51 16.1 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.557 -1.211 . . . . 0.0 108.952 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -54.83 -53.99 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -25.06 65.73 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 117.811 -1.555 . . . . 0.0 111.069 -169.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -58.69 3.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.711 1.204 . . . . 0.0 111.165 170.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.421 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.1 mt -57.1 -58.48 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 C-N-CA 126.256 1.823 . . . . 0.0 110.836 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -30.97 67.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.832 0.742 . . . . 0.0 110.507 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.8 m -67.45 -34.96 78.27 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.68 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mm -54.29 -49.53 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 122.15 2.25 . . . . 0.0 109.569 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.46 -56.19 14.64 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -47.33 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.005 0.922 . . . . 0.0 111.696 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.74 -38.45 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.339 0.656 . . . . 0.0 110.751 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' HB3' HH11 ' A' ' 60' ' ' ARG . 0.0 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.487 0.715 . . . . 0.0 111.182 176.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.111 0.965 . . . . 0.0 110.739 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.19 -11.67 37.64 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.992 0.815 . . . . 0.0 112.027 178.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.34 43.99 18.6 Favored Glycine 0 N--CA 1.451 -0.32 0 O-C-N 121.387 -0.821 . . . . 0.0 112.951 -170.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm . . . . . 0 N--CA 1.441 -0.898 0 C-N-CA 125.061 1.345 . . . . 0.0 109.485 163.622 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m 32.82 -71.11 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 127.82 2.448 . . . . 0.0 110.077 -124.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 125.751 1.62 . . . . 0.0 111.596 -157.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 56' ' ' ILE . 7.2 mp -76.12 -1.74 27.58 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.455 -1.403 . . . . 0.0 113.256 176.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -108.78 -9.76 15.19 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 118.919 -2.363 . . . . 0.0 110.582 164.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -81.48 -32.84 32.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 117.503 -1.237 . . . . 0.0 111.193 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.897 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.292 96.5 m-85 -65.32 174.16 2.24 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 120.199 1.363 . . . . 0.0 111.535 -176.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 p -78.2 147.88 34.27 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 160.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.26 -33.11 1.47 Allowed 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.666 1.986 . . . . 0.0 112.713 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.92 -47.77 61.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.268 1.427 . . . . 0.0 113.749 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -66.86 -32.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.762 1.225 . . . . 0.0 111.342 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.3 mm? -60.77 -65.95 0.61 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -42.91 72.97 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 120.595 1.543 . . . . 0.0 110.45 -173.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -67.89 -6.0 19.59 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -109.32 -44.66 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.134 1.374 . . . . 0.0 108.562 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -73.81 -32.86 63.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.212 0.605 . . . . 0.0 109.675 -175.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.9 -36.43 67.66 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.317 0.647 . . . . 0.0 110.137 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.28 -41.21 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.107 0.479 . . . . 0.0 110.322 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 53' ' ' ILE . 27.3 mmmt -60.42 -62.8 1.6 Allowed 'General case' 0 N--CA 1.443 -0.825 0 O-C-N 120.113 -1.617 . . . . 0.0 108.302 172.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -40.12 57.46 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.507 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -69.83 -50.35 43.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.511 1.505 . . . . 0.0 111.081 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.55 -40.42 51.86 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 125.194 1.397 . . . . 0.0 109.462 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.23 -47.85 69.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 120.985 -1.072 . . . . 0.0 112.848 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.3 mtt -66.42 -4.86 9.1 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.842 172.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -35.31 7.11 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.396 0.617 . . . . 0.0 111.125 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.82 -36.52 80.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 119.347 -2.096 . . . . 0.0 108.351 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -59.04 -33.78 71.17 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.275 -1.516 . . . . 0.0 111.81 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -35.87 73.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.936 1.294 . . . . 0.0 110.726 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.68 -41.74 75.04 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 120.433 1.47 . . . . 0.0 107.881 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.1 tm? -61.56 -53.05 61.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.241 0.616 . . . . 0.0 109.833 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -14.77 35.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.522 1.129 . . . . 0.0 112.806 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -40.55 12.55 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.473 1.109 . . . . 0.0 111.265 168.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.97 26.87 1.31 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 127.938 2.685 . . . . 0.0 113.564 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -118.83 -20.25 8.27 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.941 1.37 . . . . 0.0 111.936 -160.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 109.78 0.75 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.475 1.51 . . . . 0.0 114.061 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -58.44 85.5 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.421 2.288 . . . . 0.0 112.832 166.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 m120 61.54 123.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.803 2.841 . . . . 0.0 112.495 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -9.99 12.46 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 119.553 -1.967 . . . . 0.0 113.705 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -49.63 -39.5 36.12 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 120.897 -1.127 . . . . 0.0 111.986 162.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -48.75 80.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.777 1.231 . . . . 0.0 109.127 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -53.91 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 171.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -43.66 84.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.745 1.157 . . . . 0.0 112.386 -174.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.43 -34.08 75.35 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 125.795 1.638 . . . . 0.0 109.168 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.518 HG22 HD13 ' A' ' 50' ' ' ILE . 93.3 m -74.37 -42.89 58.55 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.21 -47.29 65.72 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.034 -1.666 . . . . 0.0 111.894 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -56.63 -37.2 70.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 110.349 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.88 -31.78 18.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.135 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.63 -54.02 40.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 107.586 174.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.41 65.04 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.458 -170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -60.76 2.25 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.076 1.75 . . . . 0.0 109.623 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.565 HD13 ' HG3' ' A' ' 21' ' ' LYS . 28.5 mt -60.45 -52.4 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.557 1.543 . . . . 0.0 112.042 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.68 67.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.895 0.77 . . . . 0.0 110.271 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -62.96 -44.54 95.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 117.092 -1.432 . . . . 0.0 110.822 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 6' ' ' LEU . 1.8 mm -49.69 -47.52 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.628 1.558 . . . . 0.0 111.149 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -54.6 -53.91 48.35 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -48.76 63.82 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.96 -1.088 . . . . 0.0 112.463 174.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.51 -31.42 66.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.048 0.939 . . . . 0.0 111.493 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -69.25 -34.17 74.37 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.482 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.37 -61.3 2.31 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 118.522 -0.752 . . . . 0.0 109.543 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.7 176.74 7.43 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.03 17.06 1.4 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.127 -1.608 . . . . 0.0 116.545 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.7 mm . . . . . 0 N--CA 1.448 -0.526 0 CA-C-N 120.399 2.099 . . . . 0.0 112.57 -166.593 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 120.992 0.425 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m 44.81 -67.44 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 127.212 2.205 . . . . 0.0 110.141 -127.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -65.67 -44.62 85.73 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.206 -157.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 HG13 ' A' ' 56' ' ' ILE . 2.2 mp -75.54 -9.2 58.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.846 1.658 . . . . 0.0 112.061 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.7 -5.21 29.2 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.59 1.156 . . . . 0.0 111.469 167.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.29 -27.74 20.34 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -164.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.654 ' HB2' HD13 ' A' ' 14' ' ' LEU . 84.1 m-85 -81.84 174.69 11.07 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' HD22 ' A' ' 14' ' ' LEU . 31.9 p -77.52 157.75 30.23 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 120.611 -1.306 . . . . 0.0 108.115 170.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.59 -33.03 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 128.096 2.558 . . . . 0.0 113.673 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -88.4 -29.83 19.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.43 -36.51 60.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 109.565 167.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -56.07 -63.05 1.31 Allowed 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 129.5 3.12 . . . . 0.0 104.815 177.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -46.06 85.3 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.784 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.85 -10.57 39.33 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.146 1.339 . . . . 0.0 113.7 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.14 -50.76 4.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.735 1.255 . . . . 0.0 108.061 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -78.52 -20.51 50.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.881 0.872 . . . . 0.0 110.725 -166.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.2 -38.52 85.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.339 1.456 . . . . 0.0 109.596 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.66 -46.14 63.79 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.425 1.012 . . . . 0.0 110.409 -170.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.67 ' HG3' HD13 ' A' ' 53' ' ' ILE . 2.5 mmmm -54.39 -58.93 5.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -45.81 -45.72 14.99 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 116.922 -1.513 . . . . 0.0 113.543 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -70.44 -49.41 48.98 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 121.921 2.146 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -47.19 -47.34 24.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 110.364 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 47' ' ' LYS . 9.2 tp -50.63 -58.27 6.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.407 0.548 . . . . 0.0 110.549 176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.2 -40.97 71.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.783 0.833 . . . . 0.0 111.788 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.46 -36.21 39.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.799 1.285 . . . . 0.0 108.559 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mp -69.6 -44.19 71.26 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.432 -0.793 . . . . 0.0 109.889 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -63.07 -27.31 69.31 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.509 -1.369 . . . . 0.0 111.794 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.77 -45.46 71.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.252 1.821 . . . . 0.0 110.766 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.21 -40.28 93.94 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 120.61 1.55 . . . . 0.0 107.724 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.9 tm? -56.33 -54.43 45.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.622 1.169 . . . . 0.0 110.529 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -40.62 81.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.14 1.376 . . . . 0.0 111.593 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -42.88 82.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.462 0.305 . . . . 0.0 111.072 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.47 41.28 0.33 Allowed Glycine 0 N--CA 1.44 -1.033 0 C-N-CA 127.389 2.423 . . . . 0.0 113.33 166.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -119.68 -25.76 5.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.575 1.187 . . . . 0.0 112.843 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -65.1 0.74 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 43.87 178.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.78 1.632 . . . . 0.0 112.263 -158.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 65.98 -53.55 0.39 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.028 2.131 . . . . 0.0 114.644 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p 65.95 -11.9 0.19 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.323 3.449 . . . . 0.0 116.163 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -48.97 -46.28 43.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 119.455 1.025 . . . . 0.0 111.153 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.91 -44.73 76.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.801 -0.619 . . . . 0.0 109.367 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.35 -46.79 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 119.337 0.971 . . . . 0.0 111.097 170.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.52 96.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 120.265 1.393 . . . . 0.0 110.139 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -33.12 74.97 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 121.168 -0.957 . . . . 0.0 108.595 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.605 HG22 HD13 ' A' ' 50' ' ' ILE . 28.4 m -65.3 -54.52 27.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.378 0.0 OUTLIER -51.53 -43.29 62.26 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 121.343 1.883 . . . . 0.0 115.297 178.601 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -59.22 -37.07 76.59 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.631 1.105 . . . . 0.0 110.324 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -87.54 -34.31 18.63 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 125.092 1.357 . . . . 0.0 108.471 -175.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.605 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -60.19 -53.63 46.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.06 16.6 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.902 -1.124 . . . . 0.0 112.966 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.513 HH11 HD22 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.73 -58.98 2.33 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.733 1.613 . . . . 0.0 110.658 165.108 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.67 HD13 ' HG3' ' A' ' 21' ' ' LYS . 6.2 mt -62.18 -56.19 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 126.681 1.992 . . . . 0.0 112.4 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -30.93 68.37 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.013 -1.054 . . . . 0.0 110.75 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -60.19 -52.2 66.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.725 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 6' ' ' LEU . 2.0 mm -51.14 -45.91 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.948 1.249 . . . . 0.0 110.077 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -54.65 30.43 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 124.039 0.837 . . . . 0.0 108.89 174.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.5 71.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.64 -43.56 62.67 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.263 1.025 . . . . 0.0 109.115 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -70.79 -34.87 72.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 117.98 -1.009 . . . . 0.0 113.421 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.54 -48.43 74.72 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.484 1.115 . . . . 0.0 108.827 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.05 -30.84 22.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.702 0.683 . . . . 0.0 111.623 -178.454 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.34 10.26 5.14 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 119.384 1.592 . . . . 0.0 110.678 178.4 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 122.128 0.966 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m 44.47 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 127.424 2.289 . . . . 0.0 110.545 -127.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -50.15 -54.49 20.39 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 127.376 2.271 . . . . 0.0 110.61 -162.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.03 -43.42 67.94 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 125.769 1.628 . . . . 0.0 112.189 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.11 -21.29 61.5 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.345 0.975 . . . . 0.0 111.019 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -10.27 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.613 1.165 . . . . 0.0 113.138 -170.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.593 ' HB2' HD13 ' A' ' 14' ' ' LEU . 26.5 m-85 -77.52 172.89 12.66 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.474 1.034 . . . . 0.0 110.671 -173.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 14' ' ' LEU . 21.4 p -85.77 155.4 21.04 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.676 -1.155 . . . . 0.0 108.03 170.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.47 -33.66 9.79 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 122.002 2.183 . . . . 0.0 113.613 -173.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.75 -45.48 74.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.334 1.021 . . . . 0.0 111.858 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.54 -38.11 77.37 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.423 0.689 . . . . 0.0 110.705 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -55.24 -61.46 2.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.797 1.639 . . . . 0.0 107.131 -177.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -55.4 -42.86 74.64 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.539 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.3 -4.61 14.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 120.423 1.465 . . . . 0.0 113.482 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -53.68 4.58 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 120.158 -1.589 . . . . 0.0 107.946 163.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -88.93 -25.38 22.11 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.447 -0.783 . . . . 0.0 112.637 -158.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.42 70.97 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.027 2.131 . . . . 0.0 108.813 160.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -56.21 23.87 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 119.491 1.042 . . . . 0.0 110.325 -174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.8 mmmt -59.92 -52.28 66.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -45.39 -54.66 6.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.943 1.247 . . . . 0.0 111.794 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -60.62 -50.92 71.59 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.398 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.72 -55.31 9.81 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.474 1.11 . . . . 0.0 109.974 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.12 -49.53 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.752 1.614 . . . . 0.0 111.86 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 ttt -65.85 -31.32 72.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 125.816 1.646 . . . . 0.0 113.094 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -83.22 -36.97 24.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 109.823 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 HG21 ' A' ' 46' ' ' THR . 99.4 mt -68.81 -46.06 69.62 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.116 1.767 . . . . 0.0 109.292 176.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.22 -33.26 72.01 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.483 -1.386 . . . . 0.0 110.31 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.46 -30.29 70.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.328 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.53 -41.82 62.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 121.188 1.813 . . . . 0.0 108.458 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.85 -52.93 63.33 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.259 1.024 . . . . 0.0 110.729 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.28 -14.43 55.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.883 0.873 . . . . 0.0 111.833 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.15 -10.15 26.5 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.68 1.127 . . . . 0.0 112.892 168.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.7 36.76 13.01 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 128.169 2.795 . . . . 0.0 111.637 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -119.0 -23.12 6.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.275 1.03 . . . . 0.0 110.52 -168.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -74.06 140.79 45.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.186 0.994 . . . . 0.0 109.186 172.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 37' ' ' LEU . 13.7 mptt -48.95 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.615 1.166 . . . . 0.0 111.353 174.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -151.38 140.94 21.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.212 1.405 . . . . 0.0 107.342 -168.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -56.98 -15.8 5.69 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 p -55.44 -34.28 64.32 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.412 1.085 . . . . 0.0 111.726 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.01 -46.33 71.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.328 1.051 . . . . 0.0 109.386 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -44.96 83.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.824 174.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -47.08 77.45 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 121.149 1.795 . . . . 0.0 110.646 -177.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' HH11 ' A' ' 48' ' ' ARG . 11.1 mt -66.17 -41.77 89.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 123.564 0.746 . . . . 0.0 109.131 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 50' ' ' ILE . 97.7 m -63.74 -49.47 72.89 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -54.21 -43.35 70.69 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 127.078 2.151 . . . . 0.0 112.905 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.468 HH11 ' CD2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -56.39 -37.31 69.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.797 1.18 . . . . 0.0 110.681 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.53 -26.42 17.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.752 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -61.95 -53.24 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 CA-C-N 120.786 1.63 . . . . 0.0 106.747 168.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -2.52 11.05 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 118.484 0.584 . . . . 0.0 111.864 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -63.66 1.25 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.209 1.404 . . . . 0.0 111.299 161.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 18' ' ' LEU . 3.7 mp -57.4 -55.34 21.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 120.352 1.433 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -31.79 68.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 120.55 -1.344 . . . . 0.0 110.671 -175.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 m -69.53 -30.45 68.28 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.803 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.89 -46.29 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 122.48 2.4 . . . . 0.0 108.814 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 18' ' ' LEU . 3.0 tt -61.89 -44.36 96.96 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.038 -0.982 . . . . 0.0 108.993 175.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -53.29 -53.94 43.65 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.475 1.034 . . . . 0.0 110.35 178.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.72 -15.46 53.08 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.681 1.593 . . . . 0.0 111.508 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.1 mtm105 -99.94 -11.09 20.96 Favored 'General case' 0 CA--C 1.525 0.018 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.281 172.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.22 -44.59 83.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 120.681 1.582 . . . . 0.0 106.917 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -107.19 -15.29 14.7 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.733 1.213 . . . . 0.0 113.408 -175.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.76 64.55 2.32 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.594 ' CD1' HD23 ' A' ' 62' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.443 -0.811 0 C-N-CA 127.218 2.207 . . . . 0.0 108.433 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.444 -0.761 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.45 -60.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 128.48 2.712 . . . . 0.0 108.401 -157.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.58 -46.86 58.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.15 0.976 . . . . 0.0 110.337 -173.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 13.3 mt -75.68 -11.68 60.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.86 -1.15 . . . . 0.0 113.145 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.21 24.02 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 113.671 166.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -43.15 89.78 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.377 1.071 . . . . 0.0 110.418 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' HD23 ' A' ' 14' ' ' LEU . 55.1 m-85 -57.44 157.03 7.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 125.099 1.499 . . . . 0.0 112.528 -161.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.0 p -64.78 161.39 18.16 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.376 -0.827 . . . . 0.0 109.822 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -47.7 -32.87 6.22 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 179.215 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -88.93 -43.15 11.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.762 1.225 . . . . 0.0 110.92 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.84 -31.72 72.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.712 1.142 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 11' ' ' ASP . 13.1 mt -61.09 -69.2 0.25 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.083 1.353 . . . . 0.0 107.597 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.09 65.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 116.592 -1.67 . . . . 0.0 109.45 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.79 -4.88 17.73 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.478 1.036 . . . . 0.0 113.287 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 -43.47 5.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 120.755 -1.216 . . . . 0.0 109.328 170.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.64 HD22 HG23 ' A' ' 53' ' ' ILE . 1.2 mt -78.97 -32.31 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -168.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -58.36 -43.35 88.32 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.563 1.164 . . . . 0.0 111.4 164.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -67.11 -49.88 63.38 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.767 0.712 . . . . 0.0 109.745 -172.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -54.09 -63.27 1.2 Allowed 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.145 -1.597 . . . . 0.0 107.963 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.32 62.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.946 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.6 -46.45 63.38 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.073 1.761 . . . . 0.0 111.841 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.9 -47.12 60.84 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 126.381 1.872 . . . . 0.0 109.812 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 tp -47.86 -54.69 11.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.96 0.8 . . . . 0.0 111.276 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.78 -22.09 62.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -39.2 18.34 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.588 1.555 . . . . 0.0 108.285 -177.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 37' ' ' LEU . 3.7 mp -62.53 -50.39 71.56 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 -59.48 -28.17 66.77 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.654 -1.279 . . . . 0.0 112.487 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.92 -25.77 59.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 111.514 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -81.7 -29.54 32.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 119.622 -1.924 . . . . 0.0 106.589 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 32' ' ' LEU . 3.3 tm? -68.96 -51.34 40.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.982 1.313 . . . . 0.0 111.477 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.31 -48.46 18.21 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.478 1.511 . . . . 0.0 109.29 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -26.73 63.54 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 123.79 0.836 . . . . 0.0 112.112 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.2 23.86 10.13 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 126.22 1.867 . . . . 0.0 113.571 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.46 -31.41 7.83 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.701 1.201 . . . . 0.0 109.942 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 28' ' ' LEU . 7.4 tp -86.19 114.07 22.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.67 1.588 . . . . 0.0 109.519 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -116.0 57.57 0.75 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.117 1.767 . . . . 0.0 108.957 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.97 76.86 0.65 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 120.989 -1.069 . . . . 0.0 109.719 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.9 p -75.83 -31.7 59.48 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.424 -1.422 . . . . 0.0 112.584 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -65.8 -32.27 73.71 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.261 0.937 . . . . 0.0 110.283 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.68 -42.82 85.91 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -48.76 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 119.665 1.12 . . . . 0.0 108.845 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -44.69 76.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.198 1.399 . . . . 0.0 111.276 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.12 -23.85 62.17 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 121.102 -0.999 . . . . 0.0 108.99 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.535 HG22 HD13 ' A' ' 50' ' ' ILE 0.251 33.7 m -75.36 -59.01 2.94 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 116.617 -1.658 . . . . 0.0 107.271 178.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -49.85 -41.56 45.47 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 123.421 2.828 . . . . 0.0 113.691 174.233 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -51.23 -59.8 3.81 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.212 1.005 . . . . 0.0 111.751 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.06 -31.93 61.4 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.059 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -50.87 -49.9 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 120.412 1.46 . . . . 0.0 107.144 168.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 -5.13 47.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.977 0.808 . . . . 0.0 111.96 -171.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -61.67 1.66 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.256 1.822 . . . . 0.0 111.287 162.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 18' ' ' LEU . 1.8 mp -54.76 -57.16 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 C-N-CA 126.14 1.776 . . . . 0.0 113.252 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -34.3 70.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -64.45 -41.78 96.35 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 114.56 -2.638 . . . . 0.0 111.014 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -48.66 -46.21 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 123.672 2.942 . . . . 0.0 110.148 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.4 tt -64.42 -43.73 93.42 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.971 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.07 -52.24 26.74 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 122.962 0.505 . . . . 0.0 109.86 170.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -49.86 -29.89 8.94 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.94 1.296 . . . . 0.0 114.472 -173.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -0.56 16.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.26 1.824 . . . . 0.0 114.018 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.99 -8.6 59.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 121.551 1.978 . . . . 0.0 109.811 160.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 58' ' ' ARG . 42.2 mt -131.63 -156.59 0.76 Allowed 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 129.32 3.048 . . . . 0.0 105.729 -163.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.0 39.33 1.92 Allowed Glycine 0 CA--C 1.519 0.338 0 CA-C-O 119.035 -0.869 . . . . 0.0 111.603 167.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 N--CA 1.436 -1.13 0 C-N-CA 124.787 1.235 . . . . 0.0 109.04 177.169 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 114.975 -2.44 . . . . 0.0 113.255 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -44.16 -42.9 6.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 122.239 2.29 . . . . 0.0 110.37 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.93 -53.67 9.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.958 1.703 . . . . 0.0 114.454 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 2.7 mp -90.71 -23.81 20.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 128.005 2.522 . . . . 0.0 113.628 -171.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -10.82 47.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.469 -0.776 . . . . 0.0 110.936 172.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -22.5 61.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.806 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.8 m-85 -63.58 161.03 15.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 123.758 0.823 . . . . 0.0 109.604 -171.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -72.22 161.2 31.19 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.667 -1.27 . . . . 0.0 109.477 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.1 -19.93 65.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 121.796 2.089 . . . . 0.0 113.783 -170.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.95 -44.74 25.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.765 0.826 . . . . 0.0 112.3 164.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.37 -33.77 76.27 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 119.688 1.131 . . . . 0.0 110.63 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 11' ' ' ASP . 30.6 mt -61.82 -66.26 0.56 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.505 2.722 . . . . 0.0 106.029 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -53.96 -48.71 70.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 119.226 0.921 . . . . 0.0 109.358 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.35 -2.0 23.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.419 1.009 . . . . 0.0 112.188 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.89 -54.05 3.32 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.822 1.649 . . . . 0.0 107.479 172.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -71.17 -40.85 71.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.13 -171.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -64.43 -35.33 80.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.874 1.27 . . . . 0.0 110.639 174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.69 -50.02 54.27 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 10.5 mmmt -59.49 -52.93 63.47 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.964 0.906 . . . . 0.0 108.6 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -46.6 -48.23 19.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 115.509 -2.186 . . . . 0.0 112.521 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -67.53 -50.35 59.07 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 121.939 2.154 . . . . 0.0 109.957 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -52.82 10.93 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 125.441 1.496 . . . . 0.0 110.13 -172.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.96 -47.21 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.128 1.331 . . . . 0.0 112.2 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.1 mtt -66.56 -26.85 67.32 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.14 -37.44 14.2 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.264 1.031 . . . . 0.0 109.676 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 37' ' ' LEU . 98.2 mt -59.82 -51.08 71.26 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 125.47 1.508 . . . . 0.0 109.158 171.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.7 ptt85 -60.31 -28.3 68.0 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.937 -1.102 . . . . 0.0 111.519 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -71.32 -26.89 63.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 111.033 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -73.9 -33.8 64.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.739 1.608 . . . . 0.0 108.651 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.42 -51.59 59.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.073 0.851 . . . . 0.0 110.292 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.33 21.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.306 1.842 . . . . 0.0 110.424 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mmt -81.33 -17.99 47.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.22 30.67 11.95 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 126.288 1.899 . . . . 0.0 112.985 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -121.24 -22.17 6.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.566 0.746 . . . . 0.0 110.101 -167.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD11 HG12 ' A' ' 43' ' ' ILE . 6.0 tt -62.68 120.59 11.49 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 124.635 1.174 . . . . 0.0 110.782 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -71.92 75.94 0.9 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.665 1.586 . . . . 0.0 109.977 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.52 124.09 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.227 3.011 . . . . 0.0 115.182 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.1 p -49.08 -16.97 0.17 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.181 2.592 . . . . 0.0 117.134 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 m -51.65 -38.45 54.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 120.839 1.654 . . . . 0.0 110.731 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.8 -50.43 73.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.015 0.926 . . . . 0.0 109.796 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.39 -49.6 79.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-O 117.256 -1.354 . . . . 0.0 109.888 178.485 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -45.67 62.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.968 1.713 . . . . 0.0 110.881 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.73 -13.94 58.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 O-C-N 121.403 -0.811 . . . . 0.0 110.35 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 50' ' ' ILE . 35.2 m -87.44 -55.49 3.77 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.758 1.623 . . . . 0.0 106.935 172.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -45.39 -45.78 12.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 128.366 2.666 . . . . 0.0 112.43 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -50.1 -54.14 22.52 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.09 0.859 . . . . 0.0 111.344 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.16 -27.03 56.82 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 126.019 1.728 . . . . 0.0 109.465 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -66.59 -55.7 17.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 121.905 2.139 . . . . 0.0 106.796 173.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 0.76 5.63 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.29 -0.881 . . . . 0.0 112.113 -173.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.539 ' HD2' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -99.33 -60.11 1.59 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.603 3.161 . . . . 0.0 110.083 171.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 18' ' ' LEU . 68.7 mt -64.95 -52.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 127.801 2.44 . . . . 0.0 110.778 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -33.47 69.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.788 -1.195 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.5 m -66.68 -36.43 82.51 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.58 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.454 HG13 HD23 ' A' ' 6' ' ' LEU . 2.9 mm -51.93 -44.76 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.804 2.093 . . . . 0.0 110.76 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.29 -51.45 69.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.727 0.811 . . . . 0.0 109.906 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -50.31 45.72 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 0.0 110.717 175.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.64 -29.12 70.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.081 1.353 . . . . 0.0 110.071 -173.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -83.47 -20.93 33.11 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 121.315 -0.866 . . . . 0.0 112.884 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.27 -58.68 5.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.8 -13.06 56.94 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.974 0.806 . . . . 0.0 111.61 -174.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.97 51.27 7.08 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 109.062 152.397 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.3 m 57.68 -60.34 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 127.563 2.345 . . . . 0.0 110.669 -147.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.3 -52.83 63.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.158 2.183 . . . . 0.0 109.604 -174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.64 -15.12 60.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 119.794 -1.816 . . . . 0.0 113.835 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -7.68 47.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 119.536 1.062 . . . . 0.0 112.283 170.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.24 -10.99 59.97 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.376 1.87 . . . . 0.0 112.906 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.804 ' HB2' HD13 ' A' ' 14' ' ' LEU . 48.5 m-85 -81.15 165.65 21.36 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -174.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 14' ' ' LEU . 49.4 p -70.83 152.99 43.15 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -43.58 -29.77 0.52 Allowed 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 128.169 2.588 . . . . 0.0 113.343 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.93 -51.89 9.02 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.866 0.729 . . . . 0.0 111.112 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.0 -35.87 73.96 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 123.083 0.553 . . . . 0.0 111.392 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -54.74 -69.23 0.13 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -43.64 72.54 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.463 -2.208 . . . . 0.0 109.837 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -64.62 -15.33 61.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 120.304 1.411 . . . . 0.0 112.745 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 -43.87 7.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.38 -30.06 37.83 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.169 -0.957 . . . . 0.0 108.456 -172.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.81 -33.54 68.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.845 -0.597 . . . . 0.0 112.261 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 43.1 tt0 -66.82 -55.78 13.34 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.277 0.56 . . . . 0.0 110.113 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.1 mmmt -59.66 -53.62 55.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 119.745 -1.847 . . . . 0.0 108.989 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -52.81 -39.11 62.12 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 120.699 1.591 . . . . 0.0 111.943 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 9.5 ptm85 -76.03 -40.34 53.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.768 1.622 . . . . 0.0 112.998 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -51.42 -53.07 40.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.563 1.545 . . . . 0.0 107.58 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.623 HD11 ' HD3' ' A' ' 47' ' ' LYS . 30.5 tp -53.99 -50.57 66.28 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.034 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.9 ttm -55.16 -28.71 54.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -42.13 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.485 1.114 . . . . 0.0 109.762 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 46' ' ' THR . 92.2 mt -68.58 -33.62 74.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 O-C-N 120.817 -1.177 . . . . 0.0 107.875 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 ptm85 -64.94 -28.19 69.36 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 120.787 -1.196 . . . . 0.0 111.399 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.53 -32.71 66.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.619 1.168 . . . . 0.0 110.928 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -71.8 -43.66 65.29 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 121.767 2.076 . . . . 0.0 106.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.2 tm? -55.5 -53.35 57.48 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.086 0.954 . . . . 0.0 110.697 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.271 1.029 . . . . 0.0 110.157 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.38 60.37 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.322 1.049 . . . . 0.0 112.53 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.72 6.85 24.55 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 129.699 3.523 . . . . 0.0 114.457 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -103.84 -28.15 11.79 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.014 1.407 . . . . 0.0 110.701 -151.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 119.27 9.2 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.517 1.527 . . . . 0.0 109.422 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 161.21 8.34 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.23 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -24.01 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 1 C-N-CA 132.744 4.418 . . . . 0.0 117.731 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . 0.347 1.5 p 23.61 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.761 3.224 . . . . 0.0 116.542 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.5 m -94.0 -34.82 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.483 -0.761 . . . . 0.0 109.892 163.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' CD2' HD13 ' A' ' 28' ' ' LEU . 7.4 tt -69.77 -46.38 65.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.779 0.718 . . . . 0.0 110.094 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -59.42 -46.49 92.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.205 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -42.79 92.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.64 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.27 -48.26 80.69 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.751 2.82 . . . . 0.0 108.707 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 28' ' ' LEU . 31.6 m -57.6 -48.48 79.29 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD3' HD11 ' A' ' 25' ' ' LEU . 3.7 mmmm -52.96 -43.22 66.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.412 1.915 . . . . 0.0 112.098 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -58.94 -40.41 84.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.569 ' O ' HD12 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -83.43 -36.02 24.56 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.888 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.479 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -58.11 -57.55 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 120.182 1.356 . . . . 0.0 109.007 175.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.34 0.09 8.91 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 120.517 -1.364 . . . . 0.0 112.041 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -57.05 2.83 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.717 1.607 . . . . 0.0 110.259 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.753 HD13 ' HG3' ' A' ' 21' ' ' LYS . 3.8 mt -66.57 -44.79 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 119.829 -1.794 . . . . 0.0 112.01 -178.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -31.23 70.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 121.402 1.91 . . . . 0.0 109.866 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -60.79 -37.27 81.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.426 -1.273 . . . . 0.0 109.698 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 3' ' ' ALA . 5.6 mm -57.75 -41.46 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 120.638 1.563 . . . . 0.0 109.968 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -53.09 61.66 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -53.55 53.17 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 119.019 0.827 . . . . 0.0 112.178 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.61 -42.65 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.919 1.288 . . . . 0.0 109.313 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -66.26 -35.14 79.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.72 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.02 -43.56 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.494 1.118 . . . . 0.0 110.156 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -19.83 24.17 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.124 0.875 . . . . 0.0 113.177 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 4.49 26.8 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.792 1.186 . . . . 0.0 115.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 126.93 2.092 . . . . 0.0 112.944 -177.257 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.45 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.9 m 57.96 -13.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 128.609 2.764 . . . . 0.0 116.341 -173.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.21 -46.92 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.768 1.627 . . . . 0.0 107.731 166.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.28 -6.34 57.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -12.07 27.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.138 0.975 . . . . 0.0 112.592 161.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -95.47 -24.23 16.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.173 1.389 . . . . 0.0 113.142 -155.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 14' ' ' LEU . 56.6 m-85 -57.67 167.15 1.15 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 118.716 0.689 . . . . 0.0 110.853 165.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.82 163.33 28.29 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.617 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.549 ' HA ' HD12 ' A' ' 14' ' ' LEU . 32.5 m-20 -53.23 -36.44 61.04 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.749 1.159 . . . . 0.0 112.109 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -62.04 -63.14 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.819 1.248 . . . . 0.0 110.984 168.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.06 -14.72 61.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 112.733 -172.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 11' ' ' ASP . 16.5 mt -70.24 -73.46 0.16 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 166.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.35 66.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 120.115 1.325 . . . . 0.0 111.029 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.13 -10.38 49.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 119.388 0.995 . . . . 0.0 113.38 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -45.96 4.77 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 1.6 mt -69.01 -32.39 71.89 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -172.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.5 -35.49 77.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.271 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.96 -48.8 77.33 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.438 0.695 . . . . 0.0 109.379 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.0 mmmt -59.36 -57.59 12.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 174.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.27 -42.82 31.8 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.399 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -69.24 -50.62 45.47 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.327 1.421 . . . . 0.0 109.864 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.35 -51.58 10.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.286 1.834 . . . . 0.0 110.21 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 tp -53.49 -53.43 51.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.335 0.516 . . . . 0.0 111.509 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.9 mtm -66.26 -22.11 66.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.668 0.787 . . . . 0.0 112.243 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.52 -44.09 9.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.763 2.025 . . . . 0.0 112.866 -174.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.64 -59.34 4.58 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 126.623 1.969 . . . . 0.0 108.534 166.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -59.42 -25.44 64.33 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.081 -1.012 . . . . 0.0 111.93 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -71.18 -30.99 67.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.926 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -78.44 -32.64 48.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 120.294 1.406 . . . . 0.0 108.837 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -58.65 -56.82 17.27 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.61 -27.9 68.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.249 1.42 . . . . 0.0 112.334 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.27 -9.9 58.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.664 0.786 . . . . 0.0 112.708 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.14 10.12 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 127.345 2.402 . . . . 0.0 109.992 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -130.11 -21.04 3.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.646 1.578 . . . . 0.0 110.537 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.51 131.83 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.735 1.614 . . . . 0.0 108.149 167.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -140.55 54.59 1.6 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.296 1.438 . . . . 0.0 111.529 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -136.5 -72.44 0.45 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.631 0.772 . . . . 0.0 109.265 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m 70.94 -20.16 0.22 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.695 2.798 . . . . 0.0 114.343 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -35.17 79.8 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.232 -1.543 . . . . 0.0 109.859 167.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.68 83.37 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.706 170.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.87 -45.0 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.605 2.002 . . . . 0.0 110.519 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -44.64 61.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 121.469 1.94 . . . . 0.0 111.193 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -80.8 -31.2 35.76 Favored 'General case' 0 N--CA 1.422 -1.871 0 C-N-CA 127.813 2.445 . . . . 0.0 109.822 -172.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.606 HG22 HD13 ' A' ' 50' ' ' ILE . 21.3 m -65.78 -53.08 45.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 167.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -52.54 -45.15 66.22 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 126.915 2.086 . . . . 0.0 112.679 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.05 -42.5 94.63 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.989 1.268 . . . . 0.0 110.21 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -70.98 -39.83 72.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -60.51 -55.21 25.92 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -8.69 25.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 119.679 1.127 . . . . 0.0 112.399 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -60.72 1.9 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.374 1.869 . . . . 0.0 109.948 167.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 4.9 mt -61.73 -54.31 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 127.53 2.332 . . . . 0.0 111.917 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -33.84 72.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 120.262 -1.524 . . . . 0.0 110.642 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -59.12 -51.36 70.36 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 116.237 -1.84 . . . . 0.0 108.175 173.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mm -46.21 -50.23 4.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-N 119.928 1.24 . . . . 0.0 110.253 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.67 -60.52 2.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 122.426 1.108 . . . . 0.0 110.545 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 -50.45 61.12 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.635 1.574 . . . . 0.0 112.364 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.86 61.19 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 128.241 2.616 . . . . 0.0 108.163 -172.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -99.9 -21.45 15.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.584 1.154 . . . . 0.0 111.598 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.29 -56.73 17.19 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 166.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -74.21 -14.58 60.96 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.419 1.009 . . . . 0.0 111.5 -178.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.4 27.73 56.96 Favored Glycine 0 N--CA 1.447 -0.598 0 O-C-N 121.763 -0.586 . . . . 0.0 113.674 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm . . . . . 0 N--CA 1.449 -0.503 0 CA-C-N 118.844 1.322 . . . . 0.0 109.175 172.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 60.89 -52.66 0.1 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 130.196 3.399 . . . . 0.0 110.831 -162.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.64 -52.35 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 124.076 0.95 . . . . 0.0 109.388 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.8 -10.31 59.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.082 -1.636 . . . . 0.0 113.768 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -4.48 24.48 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.873 0.869 . . . . 0.0 113.152 171.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -23.45 37.16 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.598 1.159 . . . . 0.0 113.031 -176.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 14' ' ' LEU . 81.5 m-85 -64.2 167.58 6.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.663 1.185 . . . . 0.0 111.537 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -77.22 164.14 25.88 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.723 173.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.495 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.97 -41.48 67.91 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.883 1.674 . . . . 0.0 111.758 -176.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -43.39 82.7 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 122.841 0.457 . . . . 0.0 111.966 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -67.54 -38.62 84.45 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 119.126 0.876 . . . . 0.0 110.327 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 11' ' ' ASP . 20.8 mt -67.21 -14.18 62.67 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 117.137 -1.411 . . . . 0.0 114.039 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.27 -45.67 5.27 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.335 1.854 . . . . 0.0 109.279 164.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.13 -14.35 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.806 1.639 . . . . 0.0 112.301 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.27 -57.34 3.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 123.479 1.609 . . . . 0.0 108.598 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.34 -34.35 63.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 112.804 -1.998 . . . . 0.0 111.158 -165.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.56 -30.35 71.08 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.699 1.2 . . . . 0.0 109.488 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -75.97 -52.29 10.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -56.34 -56.35 22.15 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.857 -1.152 . . . . 0.0 108.136 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -47.29 -44.57 23.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 116.462 -1.732 . . . . 0.0 113.332 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -67.46 -54.96 15.69 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 120.987 1.721 . . . . 0.0 109.806 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -45.08 -51.99 9.58 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 126.479 1.912 . . . . 0.0 110.341 -173.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.64 -48.06 66.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.697 1.135 . . . . 0.0 111.925 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ttt -66.5 -28.55 68.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.627 1.171 . . . . 0.0 112.241 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.52 -31.87 17.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.559 1.072 . . . . 0.0 110.451 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.26 -44.01 63.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.682 1.193 . . . . 0.0 108.794 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -56.72 -28.42 60.98 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.302 -1.499 . . . . 0.0 111.695 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -25.06 50.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.05 1.74 . . . . 0.0 110.049 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -77.61 -38.83 47.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.17 -49.52 73.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.929 0.892 . . . . 0.0 110.395 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.29 -14.24 6.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.198 1.799 . . . . 0.0 112.651 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.61 -8.63 18.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.623 1.169 . . . . 0.0 112.966 172.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 48.44 19.64 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 128.75 3.071 . . . . 0.0 110.206 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -121.55 -37.69 2.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.444 1.098 . . . . 0.0 109.836 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.97 -41.84 99.66 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.709 0.804 . . . . 0.0 111.434 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 tttp 55.09 86.32 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.514 1.526 . . . . 0.0 111.76 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.408 ' ND2' ' H ' ' A' ' 41' ' ' SER . 58.4 t30 96.56 159.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 131.014 3.726 . . . . 0.0 111.75 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.4 p -121.09 3.36 10.44 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' H ' ' ND2' ' A' ' 39' ' ' ASN . 14.9 m -57.04 -38.56 73.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 120.112 1.324 . . . . 0.0 110.04 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -69.7 -43.09 73.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.643 176.145 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -41.79 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 120.959 1.709 . . . . 0.0 110.287 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -58.47 -45.21 89.1 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.755 1.161 . . . . 0.0 110.275 175.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.418 HD13 ' HD3' ' A' ' 48' ' ' ARG . 2.1 mm? -69.09 -28.55 66.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 120.416 -1.427 . . . . 0.0 110.415 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 50' ' ' ILE . 18.4 m -70.92 -55.72 7.78 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -46.91 -48.3 21.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 127.783 2.433 . . . . 0.0 112.389 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 11.2 ptt85 -60.42 -45.64 92.87 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.618 1.099 . . . . 0.0 109.876 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -39.29 74.82 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -56.23 -53.37 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.19 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.706 0.685 . . . . 0.0 112.36 -172.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -62.26 1.5 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 109.369 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 mp -50.99 -59.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.9 1.68 . . . . 0.0 113.369 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -21.61 60.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 120.293 -1.505 . . . . 0.0 112.295 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -83.09 -29.8 28.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.429 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -50.15 -45.41 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 122.526 2.421 . . . . 0.0 110.765 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 18' ' ' LEU . 5.1 tt -66.76 -46.63 74.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.813 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.74 -47.71 63.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.684 1.129 . . . . 0.0 111.7 176.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.0 -32.52 64.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.795 1.238 . . . . 0.0 111.29 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.55 -34.39 60.73 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.394 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -55.49 -46.97 76.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.206 1.002 . . . . 0.0 109.181 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -96.3 0.22 50.53 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.68 30.43 64.02 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.198 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 N--CA 1.448 -0.545 0 C-N-CA 125.509 1.524 . . . . 0.0 110.943 171.806 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 m 62.55 -57.14 0.14 Allowed 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 129.207 3.003 . . . . 0.0 109.661 -154.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -56.07 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 128.254 2.621 . . . . 0.0 110.497 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.92 -16.65 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 126.148 1.779 . . . . 0.0 112.217 -175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.32 54.59 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.922 0.489 . . . . 0.0 110.413 169.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.02 -4.3 40.5 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.733 -167.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.345 63.0 m-85 -77.21 161.13 28.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 120.555 1.525 . . . . 0.0 108.453 -178.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.401 ' C ' HD22 ' A' ' 14' ' ' LEU . 73.4 p -80.03 150.41 30.38 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 172.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -36.27 -45.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 129.04 2.936 . . . . 0.0 110.261 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.12 -37.13 75.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.04 -44.18 69.73 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.498 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -49.74 -60.36 2.96 Favored 'General case' 0 C--N 1.342 0.249 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.088 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -58.34 6.52 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.69 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.56 -15.22 57.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -170.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -96.49 -51.7 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.33 -29.23 57.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.712 0.805 . . . . 0.0 109.063 -169.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.06 -29.33 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.404 1.082 . . . . 0.0 111.748 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -70.13 -51.7 29.44 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.151 0.98 . . . . 0.0 109.535 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -53.89 -61.48 2.28 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 173.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -47.46 -44.98 25.5 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.475 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -64.17 -55.4 22.07 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 120.258 1.39 . . . . 0.0 110.569 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.86 -49.64 19.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.72 1.208 . . . . 0.0 110.573 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.09 -52.67 41.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.179 1.354 . . . . 0.0 111.582 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.7 tpt -65.0 -25.25 67.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.481 1.112 . . . . 0.0 112.236 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.29 -40.0 12.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.215 1.007 . . . . 0.0 109.761 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 HG21 ' A' ' 46' ' ' THR . 96.7 mt -63.88 -41.46 97.73 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.149 -1.594 . . . . 0.0 109.277 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -61.61 -31.58 71.66 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.705 -1.247 . . . . 0.0 110.237 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.0 -32.66 73.21 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.358 -1.306 . . . . 0.0 111.088 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -74.03 -39.72 63.37 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 121.742 2.065 . . . . 0.0 107.52 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.11 -51.1 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.559 0.744 . . . . 0.0 110.277 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.36 -23.14 66.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.265 1.026 . . . . 0.0 111.839 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -81.52 -18.37 45.27 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 120.039 1.29 . . . . 0.0 112.386 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.33 42.83 4.8 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.181 1.848 . . . . 0.0 111.121 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -129.61 -29.73 2.14 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.144 1.472 . . . . 0.0 112.113 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 119.21 5.87 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.1 1.36 . . . . 0.0 110.609 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -55.23 -59.62 4.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.891 0.768 . . . . 0.0 112.019 -176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.4 122.53 11.46 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.719 0.69 . . . . 0.0 111.428 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.7 p -64.5 -12.99 49.91 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.05 -22.5 65.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.861 1.664 . . . . 0.0 111.597 171.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.7 -57.25 12.69 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 116.643 -1.646 . . . . 0.0 108.437 160.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -43.27 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 121.826 2.103 . . . . 0.0 110.763 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.24 -50.56 70.95 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.494 1.043 . . . . 0.0 110.008 176.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.74 -38.11 89.87 Favored 'General case' 0 N--CA 1.415 -2.202 0 C-N-CA 126.419 1.888 . . . . 0.0 108.286 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.564 HG22 HD13 ' A' ' 50' ' ' ILE . 5.8 m -65.16 -52.33 55.7 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -51.06 -44.16 61.1 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.881 2.073 . . . . 0.0 113.034 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD2' ' HE2' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -58.46 -49.45 77.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.784 1.174 . . . . 0.0 108.02 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.54 -42.86 82.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.564 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.32 -53.16 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.116 0 CA-C-N 120.101 1.319 . . . . 0.0 108.187 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -13.97 62.64 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.772 -174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -61.5 1.79 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.08 1.752 . . . . 0.0 109.104 172.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 mp -55.27 -56.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 127.043 2.137 . . . . 0.0 111.746 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.43 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 120.348 -1.47 . . . . 0.0 110.832 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -40.32 82.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 116.389 -1.767 . . . . 0.0 110.591 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.25 -49.1 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 122.09 2.223 . . . . 0.0 109.586 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.08 -54.26 45.38 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -47.45 30.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.675 1.19 . . . . 0.0 111.388 176.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.25 -13.35 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.915 1.286 . . . . 0.0 112.666 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -96.1 -19.97 19.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.691 1.196 . . . . 0.0 112.145 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.05 -67.06 0.46 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.64 169.28 17.85 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.364 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.1 23.63 1.39 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.865 -0.964 . . . . 0.0 114.104 -173.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 119.918 1.859 . . . . 0.0 110.566 -177.022 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 117.428 -1.272 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.31 0.63 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.577 1.535 . . . . 0.0 112.805 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.5 -44.99 16.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.651 2.38 . . . . 0.0 113.976 171.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 12.6 mt -80.96 -37.22 29.77 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 126.229 1.811 . . . . 0.0 111.234 -171.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -11.77 53.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.619 1.099 . . . . 0.0 110.847 174.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.04 0.64 56.51 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.668 1.587 . . . . 0.0 113.269 -162.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.808 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.432 29.3 m-85 -76.62 179.5 5.95 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 119.852 1.206 . . . . 0.0 110.849 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -86.59 147.0 26.12 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.769 2.077 . . . . 0.0 107.36 165.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -47.84 -31.39 4.96 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 122.891 2.587 . . . . 0.0 111.823 -177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -68.53 -47.86 65.82 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 113.58 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.82 -43.1 99.52 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.242 0.928 . . . . 0.0 110.486 170.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -54.37 -57.24 12.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -173.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.33 83.09 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.303 -1.332 . . . . 0.0 110.291 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -15.05 62.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 121.261 1.846 . . . . 0.0 112.626 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.33 -57.32 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 128.492 2.717 . . . . 0.0 106.723 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -67.95 -38.01 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -37.59 86.63 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.233 172.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -67.04 -50.27 62.53 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.646 1.179 . . . . 0.0 109.491 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -63.9 -54.08 40.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.698 -1.594 . . . . 0.0 106.698 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -45.95 -51.83 12.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.358 -1.306 . . . . 0.0 112.39 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.29 -52.16 59.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.316 1.416 . . . . 0.0 109.939 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -47.74 -50.4 25.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.267 1.027 . . . . 0.0 109.73 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.78 -50.51 55.86 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.174 1.352 . . . . 0.0 111.989 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mmt -62.27 -27.86 69.31 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -94.21 -25.67 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.511 1.148 . . . . 0.0 111.096 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 46' ' ' THR . 94.2 mt -70.0 -45.1 67.99 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.437 1.495 . . . . 0.0 109.151 168.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -61.56 -26.29 67.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.354 -1.466 . . . . 0.0 111.39 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.55 -46.17 89.58 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.988 0.915 . . . . 0.0 110.409 169.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.22 -40.53 90.35 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.529 1.513 . . . . 0.0 108.038 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.1 tm? -58.3 -54.04 51.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.091 0.956 . . . . 0.0 110.329 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.7 69.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.815 0.846 . . . . 0.0 112.285 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 mtt -67.7 -41.45 83.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.62 0.646 . . . . 0.0 110.857 167.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 43.88 0.57 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 125.813 1.673 . . . . 0.0 112.438 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -124.07 -26.04 4.09 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.769 1.284 . . . . 0.0 111.313 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.83 94.39 2.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.094 -1.004 . . . . 0.0 111.634 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -38.8 105.81 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.068 1.747 . . . . 0.0 111.732 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 t30 40.76 33.69 0.22 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.723 2.809 . . . . 0.0 114.814 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p 47.56 21.18 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -170.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -57.15 -41.92 80.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 120.738 -1.226 . . . . 0.0 111.581 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -47.83 29.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.881 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.37 -45.0 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.28 46.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.754 1.161 . . . . 0.0 111.201 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -13.04 61.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.559 1.144 . . . . 0.0 111.395 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.673 HG22 HD13 ' A' ' 50' ' ' ILE . 62.1 m -93.49 -52.91 4.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -49.63 -41.41 42.34 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.198 1.799 . . . . 0.0 112.32 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -51.75 -57.3 9.66 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.703 0.627 . . . . 0.0 110.77 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.22 -29.06 66.92 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.199 1.8 . . . . 0.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.673 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -70.0 -53.54 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.972 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.96 -9.87 48.86 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.762 1.164 . . . . 0.0 112.439 -173.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 6' ' ' LEU 0.28 0.4 OUTLIER -85.56 -63.13 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 130.902 3.681 . . . . 0.0 109.39 173.378 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.628 HG22 ' HA ' ' A' ' 18' ' ' LEU . 95.0 mt -66.98 -51.15 57.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 127.898 2.479 . . . . 0.0 109.954 -178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.08 69.42 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 120.136 -1.603 . . . . 0.0 109.669 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.5 m -67.89 -33.28 74.42 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 116.76 -1.59 . . . . 0.0 111.276 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.0 -37.0 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 122.065 2.211 . . . . 0.0 111.254 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.12 -59.36 4.87 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 168.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -48.19 70.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.772 0.829 . . . . 0.0 112.289 -176.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.09 -14.65 4.09 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.45 2.3 . . . . 0.0 111.486 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -104.6 -16.81 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 120.097 -1.627 . . . . 0.0 112.905 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -62.74 -46.85 86.14 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.904 0.774 . . . . 0.0 109.012 170.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.15 -21.19 27.69 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.862 -1.149 . . . . 0.0 112.612 175.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.05 58.91 3.83 Favored Glycine 0 CA--C 1.521 0.447 0 O-C-N 120.648 -1.282 . . . . 0.0 111.732 -168.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 126.586 1.954 . . . . 0.0 110.021 157.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.74 -21.59 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.999 3.72 . . . . 0.0 116.184 -159.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.575 ' CG ' HD22 ' A' ' 6' ' ' LEU . 5.7 pt-20 -90.85 -58.99 2.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 120.099 1.318 . . . . 0.0 108.15 162.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.695 HD21 HG13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -80.96 -2.86 49.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -164.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -8.66 25.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 118.946 -2.346 . . . . 0.0 111.296 169.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.49 -32.71 42.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.647 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.341 83.4 m-85 -82.3 176.96 9.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.246 -169.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.419 ' O ' HD22 ' A' ' 14' ' ' LEU . 41.0 p -80.56 146.22 31.38 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.38 -32.21 0.07 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 128.422 2.689 . . . . 0.0 111.982 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.98 -50.51 19.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.609 3.164 . . . . 0.0 115.393 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.953 -1.092 . . . . 0.0 110.782 168.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.53 -60.62 3.1 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -42.93 62.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 120.326 1.421 . . . . 0.0 109.837 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -71.72 -2.09 16.2 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.59 -40.38 5.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.282 2.233 . . . . 0.0 110.073 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -82.62 -32.19 28.47 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.624 -1.297 . . . . 0.0 109.117 -167.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.92 80.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.03 1.332 . . . . 0.0 109.801 164.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.99 -51.04 66.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.899 1.28 . . . . 0.0 109.646 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -58.19 -56.3 23.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 119.749 -1.844 . . . . 0.0 108.161 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -55.61 -34.77 65.18 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.839 -1.163 . . . . 0.0 112.126 -174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -73.32 -51.36 17.78 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 120.962 1.71 . . . . 0.0 110.98 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.96 -44.24 40.56 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.021 1.728 . . . . 0.0 111.118 -174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 47' ' ' LYS . 19.9 tp -51.63 -54.31 29.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.469 1.031 . . . . 0.0 110.955 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.4 mtt -65.64 -23.97 66.93 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.41 -40.54 13.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.137 1.375 . . . . 0.0 108.853 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.63 -51.62 61.69 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -56.65 -33.86 66.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.929 -1.107 . . . . 0.0 111.641 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.47 -28.99 69.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.071 1.348 . . . . 0.0 110.752 175.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -78.24 -30.13 48.52 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.26 -1.525 . . . . 0.0 109.127 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HB2' HD13 ' A' ' 37' ' ' LEU . 2.1 tm? -65.39 -52.88 50.51 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 119.954 1.252 . . . . 0.0 110.211 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.35 -43.38 16.02 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.703 1.601 . . . . 0.0 109.566 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -16.26 54.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.63 30.58 9.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 127.177 2.322 . . . . 0.0 112.731 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -121.35 -20.85 6.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.884 0.874 . . . . 0.0 110.071 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 32' ' ' LEU . 7.0 tt -61.84 124.13 19.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.875 1.67 . . . . 0.0 110.695 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -101.39 84.99 2.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.286 1.035 . . . . 0.0 111.184 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 91.09 112.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 128.981 2.913 . . . . 0.0 111.151 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.8 p -71.59 -7.86 50.37 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.2 m -60.2 -24.17 64.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.631 1.105 . . . . 0.0 111.907 174.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.96 -49.08 16.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -43.32 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 120.68 1.582 . . . . 0.0 110.789 -173.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -33.01 74.79 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.37 1.068 . . . . 0.0 112.491 -173.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . 0.255 1.9 tp -71.61 -42.38 67.75 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 128.945 2.898 . . . . 0.0 107.135 169.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.699 HG22 ' CD1' ' A' ' 50' ' ' ILE . 1.7 m -54.78 -54.97 35.13 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 119.834 1.197 . . . . 0.0 109.248 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.349 0.0 OUTLIER -52.05 -42.11 62.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 119.436 -2.04 . . . . 0.0 115.74 175.716 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -48.95 78.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.482 1.492 . . . . 0.0 108.78 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.97 -41.79 61.43 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 117.26 -1.353 . . . . 0.0 107.869 -173.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.699 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.1 mp -46.46 -50.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-N 120.521 1.51 . . . . 0.0 108.739 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.73 85.13 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -59.68 4.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.365 0.984 . . . . 0.0 112.159 173.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.695 HG13 HD21 ' A' ' 6' ' ' LEU . 1.4 mp -48.6 -64.11 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.504 0 C-N-CA 127.349 2.26 . . . . 0.0 111.919 172.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -29.64 70.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.761 -1.212 . . . . 0.0 109.532 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -64.28 -39.83 94.72 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 116.267 -1.825 . . . . 0.0 110.498 170.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG21 ' HB3' ' A' ' 6' ' ' LEU . 2.0 mm -51.83 -48.43 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 122.887 2.585 . . . . 0.0 109.847 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tp -55.94 -57.42 12.18 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -57.48 4.09 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.547 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -39.24 43.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.748 1.619 . . . . 0.0 109.651 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -80.15 -11.99 59.7 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.0 1.32 . . . . 0.0 114.534 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.14 -48.92 71.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.11 -36.32 14.06 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.574 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.57 25.27 3.19 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 119.129 0.877 . . . . 0.0 115.038 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mm . . . . . 0 N--CA 1.446 -0.626 0 C-N-CA 124.824 1.25 . . . . 0.0 111.226 171.374 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.443 -0.819 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t 58.8 -70.19 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.758 2.423 . . . . 0.0 107.812 -148.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.75 -48.41 79.31 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 126.688 1.995 . . . . 0.0 109.741 -164.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 42.0 mt -82.22 -14.35 55.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 119.936 -1.728 . . . . 0.0 113.127 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -9.2 58.7 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.543 1.137 . . . . 0.0 109.985 167.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -87.99 -19.04 27.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 118.455 -0.783 . . . . 0.0 113.045 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.563 ' HB2' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -68.76 163.75 23.35 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 124.164 0.986 . . . . 0.0 109.797 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 44.3 p -82.02 167.59 18.69 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 110.845 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -50.42 -41.29 52.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.634 1.106 . . . . 0.0 111.506 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.66 -46.17 55.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.03 1.332 . . . . 0.0 113.091 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 10' ' ' THR . 2.1 mm-40 -66.5 -38.37 87.1 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.049 -1.032 . . . . 0.0 110.484 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 9' ' ' TYR . 19.5 mt -56.31 -66.2 0.47 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.066 2.147 . . . . 0.0 107.122 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -49.93 -51.17 43.1 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.997 1.272 . . . . 0.0 109.677 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -68.19 -11.12 58.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -46.89 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.105 1.762 . . . . 0.0 108.498 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -78.76 -35.69 44.16 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.865 0.866 . . . . 0.0 110.127 -170.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -37.21 73.95 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.85 1.26 . . . . 0.0 109.059 169.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.31 -51.82 58.11 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 123.916 0.886 . . . . 0.0 109.174 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.2 mmmt -54.96 -58.98 5.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.25 -1.531 . . . . 0.0 107.91 173.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -50.37 13.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 116.456 -1.735 . . . . 0.0 112.375 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.92 -57.68 9.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 117.101 -1.428 . . . . 0.0 109.09 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -46.28 -43.95 16.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 126.171 1.788 . . . . 0.0 111.717 -170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.605 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.3 tm? -54.08 -54.57 37.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.993 1.27 . . . . 0.0 110.884 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.7 mtp -62.58 -17.4 60.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.276 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -18.8 13.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.518 1.127 . . . . 0.0 111.195 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 46' ' ' THR . 2.0 mp -75.34 -51.78 12.37 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.916 1.686 . . . . 0.0 107.076 167.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -57.52 -30.56 65.25 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.876 -0.515 . . . . 0.0 110.672 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.43 -39.1 93.58 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.469 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.72 -25.34 49.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 119.985 1.266 . . . . 0.0 107.651 -176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.58 -53.57 22.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.209 0.913 . . . . 0.0 109.411 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -36.33 38.72 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -23.87 52.14 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.696 0.798 . . . . 0.0 112.455 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.16 48.7 3.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 127.211 2.339 . . . . 0.0 110.388 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.51 -54.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.274 1.029 . . . . 0.0 108.771 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.73 116.26 3.94 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 170.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -122.12 39.55 3.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.318 1.047 . . . . 0.0 109.536 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -143.45 101.05 3.72 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 120.815 -1.178 . . . . 0.0 110.302 153.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -62.31 -25.14 67.71 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.479 -0.763 . . . . 0.0 112.653 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -78.36 -18.48 55.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.349 -0.844 . . . . 0.0 112.65 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.11 -51.38 61.65 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 162.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -46.41 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.46 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -47.96 70.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 120.238 1.381 . . . . 0.0 111.954 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.04 -29.23 62.83 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 50' ' ' ILE . 2.3 m -67.12 -52.04 46.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.605 ' HD3' HD21 ' A' ' 25' ' ' LEU . 6.5 mmmt -52.34 -45.3 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 119.889 -1.757 . . . . 0.0 113.875 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -57.37 -47.77 80.77 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.686 1.195 . . . . 0.0 107.969 -174.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.602 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -58.24 -48.18 85.45 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 O-C-N 120.521 -1.362 . . . . 0.0 107.748 177.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.86 95.08 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-O 117.25 -1.357 . . . . 0.0 109.234 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HD2' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -58.22 -61.68 2.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 120.132 1.333 . . . . 0.0 113.441 175.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.9 mt -53.77 -59.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 127.601 2.36 . . . . 0.0 111.801 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.13 71.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.368 -1.458 . . . . 0.0 109.784 -175.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -62.34 -39.37 92.86 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.435 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -52.36 -49.26 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 121.844 2.111 . . . . 0.0 109.728 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tp -55.04 -55.87 26.09 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -50.96 29.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.49 1.116 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.96 -18.26 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 126.451 1.9 . . . . 0.0 111.602 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -85.11 -32.04 23.01 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.582 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.352 1.461 . . . . 0.0 108.923 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.13 -10.62 59.12 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.251 0.932 . . . . 0.0 112.25 178.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.14 62.82 5.07 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 124.205 0.907 . . . . 0.0 111.936 -169.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mm . . . . . 0 N--CA 1.448 -0.573 0 C-N-CA 124.8 1.24 . . . . 0.0 110.945 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -41.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.926 2.49 . . . . 0.0 112.491 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.44 -55.94 4.68 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 123.123 1.44 . . . . 0.0 108.098 171.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 15.1 mt -80.3 -14.12 58.64 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 120.619 -1.301 . . . . 0.0 114.126 -165.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.37 0.16 53.23 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.939 0.896 . . . . 0.0 110.919 165.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -74.68 -32.38 62.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.394 0.997 . . . . 0.0 111.9 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.586 ' HB2' HD23 ' A' ' 14' ' ' LEU . 78.6 m-85 -54.43 151.46 7.67 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 124.106 0.879 . . . . 0.0 110.146 -174.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -69.3 164.3 23.13 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.561 0.619 . . . . 0.0 110.567 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.4 m-20 -53.0 -34.36 55.95 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.964 1.256 . . . . 0.0 111.734 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.55 -40.03 36.05 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -64.4 -49.45 71.51 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.639 1.109 . . . . 0.0 109.822 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 9' ' ' TYR . 20.1 mt -48.59 -66.84 0.33 Allowed 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 128.147 2.579 . . . . 0.0 107.304 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -50.09 50.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -65.23 -16.96 64.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 112.952 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.64 -36.66 10.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.153 1.781 . . . . 0.0 109.666 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -87.17 -35.24 18.7 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.955 -1.091 . . . . 0.0 108.244 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -34.15 68.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.743 -1.122 . . . . 0.0 109.867 168.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 24.2 tp10 -63.27 -53.96 44.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.81 1.644 . . . . 0.0 110.736 175.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 1.2 mmmm -57.28 -57.21 13.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.22 -2.175 . . . . 0.0 107.42 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -47.75 -44.66 28.3 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 117.772 -1.109 . . . . 0.0 112.809 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 12.6 ptm180 -72.24 -46.23 56.92 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.881 1.219 . . . . 0.0 111.319 177.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -51.46 -47.87 62.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.482 1.513 . . . . 0.0 108.606 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 47' ' ' LYS . 2.0 tm? -57.55 -53.92 52.69 Favored 'General case' 0 C--N 1.333 -0.127 0 O-C-N 120.971 -1.081 . . . . 0.0 110.888 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.2 ttp -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 124.632 1.173 . . . . 0.0 113.113 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -94.35 -30.5 14.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.717 0.77 . . . . 0.0 110.768 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.77 -43.53 75.56 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -61.09 -29.59 69.84 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.821 -1.174 . . . . 0.0 111.026 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.7 -37.95 79.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.656 1.183 . . . . 0.0 111.05 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.7 -42.72 63.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.68 -46.24 90.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.041 0.936 . . . . 0.0 110.154 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.66 -27.42 69.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.237 1.015 . . . . 0.0 112.399 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.9 mmt -85.55 -7.69 58.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.232 1.013 . . . . 0.0 111.829 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.15 33.71 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 125.292 1.425 . . . . 0.0 110.485 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -115.95 -35.5 4.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -65.53 132.19 48.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.753 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 37' ' ' LEU . 3.2 tmtp? -53.52 -48.96 68.54 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.514 1.526 . . . . 0.0 114.494 -172.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -149.96 145.32 26.39 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.027 1.285 . . . . 0.0 111.538 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 p -62.03 -31.15 71.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.626 1.571 . . . . 0.0 113.573 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -60.54 -28.34 68.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.48 -0.762 . . . . 0.0 111.229 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 37' ' ' LEU . 27.4 tp -62.69 -46.53 87.71 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 174.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -56.12 16.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 120.572 1.533 . . . . 0.0 108.104 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -43.46 46.05 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.707 1.594 . . . . 0.0 112.41 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.97 -46.57 67.78 Favored 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 128.556 2.742 . . . . 0.0 109.246 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -67.55 -48.4 67.06 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' CB ' HD23 ' A' ' 25' ' ' LEU 0.387 0.0 OUTLIER -63.81 -29.33 70.54 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.473 2.309 . . . . 0.0 114.713 179.892 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 11.7 ptt85 -57.29 -46.04 83.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 170.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.13 -40.81 64.6 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.126 1.77 . . . . 0.0 107.223 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.73 -55.46 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.247 0 CA-C-N 121.191 1.814 . . . . 0.0 107.241 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.76 -0.24 17.57 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.454 -171.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -65.45 1.01 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.241 1.416 . . . . 0.0 111.379 160.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 HD22 ' A' ' 18' ' ' LEU . 1.6 mp -51.86 -60.46 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 128.262 2.625 . . . . 0.0 111.96 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -33.44 61.93 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.53 -0.731 . . . . 0.0 109.944 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 m -74.69 -28.34 60.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.434 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -54.2 -45.45 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 122.425 2.375 . . . . 0.0 110.419 172.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HB2' HD12 ' A' ' 18' ' ' LEU . 9.5 tp -58.84 -53.43 58.51 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.856 0.722 . . . . 0.0 109.059 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -52.62 16.94 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.378 1.071 . . . . 0.0 111.038 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.72 -22.45 65.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.943 1.697 . . . . 0.0 111.598 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -86.79 -19.74 28.6 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.338 -1.315 . . . . 0.0 112.864 172.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.18 -57.21 9.11 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -30.19 63.36 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.11 63.65 1.37 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -169.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 129.419 3.088 . . . . 0.0 109.532 167.412 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.386 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m 41.47 -15.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.665 3.186 . . . . 0.0 118.681 -144.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.723 ' HG3' HD22 ' A' ' 6' ' ' LEU . 15.6 pt-20 -101.08 -57.3 2.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 170.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -74.08 -15.15 61.07 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.167 -1.583 . . . . 0.0 113.737 -169.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -17.99 25.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 120.976 1.716 . . . . 0.0 111.11 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -80.85 -23.15 39.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.826 -166.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 94.1 m-85 -61.43 162.23 8.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 118.289 0.495 . . . . 0.0 111.626 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -74.21 162.73 28.64 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.397 -0.815 . . . . 0.0 110.117 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.59 -25.85 40.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.867 1.212 . . . . 0.0 112.98 -174.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.24 -47.61 10.62 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.307 0.643 . . . . 0.0 111.836 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.31 -40.86 83.15 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 11' ' ' ASP . 36.5 mt -51.41 -68.98 0.12 Allowed 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 127.575 2.35 . . . . 0.0 108.463 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.42 64.78 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 117.325 -1.322 . . . . 0.0 109.687 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -72.62 -2.32 19.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.855 1.207 . . . . 0.0 112.409 -174.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -54.75 3.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 164.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.41 -22.75 40.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.921 -0.487 . . . . 0.0 110.685 -159.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.69 -51.69 46.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 111.281 158.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -54.12 50.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.532 1.06 . . . . 0.0 111.038 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 29.5 mmmt -57.44 -57.42 12.76 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 45.5 pttt -52.54 -41.74 63.79 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.909 1.686 . . . . 0.0 111.675 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -66.1 -50.26 64.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 121.208 1.822 . . . . 0.0 110.592 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -48.03 -47.39 33.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.777 1.631 . . . . 0.0 111.028 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -54.2 -50.32 67.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.024 -1.048 . . . . 0.0 111.921 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtp -72.54 -20.46 61.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.714 1.206 . . . . 0.0 112.538 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.93 -38.75 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.636 1.974 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.99 -39.93 79.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 120.305 -1.497 . . . . 0.0 108.651 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -62.96 -22.95 67.17 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.908 -1.745 . . . . 0.0 112.279 172.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -73.21 -43.35 61.44 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.4 0.68 . . . . 0.0 109.679 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.39 -34.19 75.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 119.973 1.26 . . . . 0.0 109.244 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.88 -54.88 27.89 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 119.764 1.165 . . . . 0.0 110.796 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.75 -36.28 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 113.938 -1.483 . . . . 0.0 110.104 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.4 mmt -86.5 -11.17 52.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.159 0.984 . . . . 0.0 113.099 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.73 45.24 9.55 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 126.399 1.952 . . . . 0.0 110.547 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -127.17 -21.6 3.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.592 1.557 . . . . 0.0 109.911 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -75.47 113.55 13.0 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 113.385 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 80.26 1.79 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.311 1.044 . . . . 0.0 111.639 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 69.46 119.22 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.88 2.872 . . . . 0.0 115.573 171.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.0 m -65.95 -4.54 7.21 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.045 2.538 . . . . 0.0 115.821 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -35.96 69.72 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 121.346 1.885 . . . . 0.0 110.788 164.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.46 -38.83 88.22 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.199 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -55.3 16.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.726 1.148 . . . . 0.0 109.212 172.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -45.21 65.03 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 120.204 1.366 . . . . 0.0 110.863 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.01 -12.62 60.17 Favored 'General case' 0 N--CA 1.433 -1.279 0 O-C-N 121.635 -0.666 . . . . 0.0 109.925 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 50' ' ' ILE . 93.2 m -87.98 -51.34 5.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.418 1.487 . . . . 0.0 108.419 175.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.414 0.0 OUTLIER -54.45 -33.39 59.46 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 122.476 2.398 . . . . 0.0 115.033 174.037 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -52.23 -45.98 65.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.24 0.927 . . . . 0.0 109.895 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' HE3' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.63 -44.02 21.76 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 126.342 1.857 . . . . 0.0 107.284 -174.528 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -56.96 -49.97 77.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -4.01 32.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.478 1.035 . . . . 0.0 112.869 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -64.95 1.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.097 1.359 . . . . 0.0 110.64 164.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 18' ' ' LEU . 4.2 mp -56.51 -57.45 9.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 126.098 1.759 . . . . 0.0 110.325 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -36.22 70.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.844 0.747 . . . . 0.0 109.89 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -63.91 -37.13 86.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 116.829 -1.558 . . . . 0.0 111.124 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -56.56 -44.7 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.754 2.07 . . . . 0.0 111.438 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -55.54 32.69 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.8 -53.53 24.7 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 125.674 1.59 . . . . 0.0 112.153 -178.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.75 -49.15 29.17 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.269 2.228 . . . . 0.0 109.029 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.36 -17.37 62.43 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.365 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.15 -52.5 27.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.176 1.353 . . . . 0.0 107.779 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -90.73 -9.42 46.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.628 1.104 . . . . 0.0 112.212 -175.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 44.51 43.33 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 103.622 -2.732 . . . . 0.0 103.622 154.406 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 116.549 -1.691 . . . . 0.0 114.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.0 m -51.33 -27.08 8.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 122.136 2.243 . . . . 0.0 113.642 -166.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 7.6 pt-20 -62.16 -70.3 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.279 2.632 . . . . 0.0 112.475 161.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.64 -39.4 93.75 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 119.736 -1.852 . . . . 0.0 113.794 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -8.04 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.76 1.224 . . . . 0.0 111.658 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -16.65 53.96 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.42 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.54 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.274 31.7 m-85 -64.94 153.32 40.82 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 119.473 1.033 . . . . 0.0 109.3 -177.6 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.18 162.12 29.91 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.665 -0.647 . . . . 0.0 109.295 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -54.38 -25.58 25.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.694 1.133 . . . . 0.0 112.133 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -48.85 11.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.038 1.735 . . . . 0.0 111.868 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.39 -40.65 97.81 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 118.977 0.808 . . . . 0.0 110.44 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 9' ' ' TYR . 31.3 mt -53.73 -64.52 0.8 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 126.599 1.96 . . . . 0.0 106.901 -176.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -44.58 72.54 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.305 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -72.31 -2.54 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.684 1.129 . . . . 0.0 112.96 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.5 -50.59 2.94 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 127.838 2.455 . . . . 0.0 108.161 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -73.67 -31.36 63.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.49 -0.756 . . . . 0.0 109.391 -178.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.35 -30.66 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.929 168.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.58 -56.04 8.44 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.441 1.096 . . . . 0.0 110.41 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.2 mmmt -53.43 -59.98 3.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -45.62 -47.07 14.79 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 116.401 -1.761 . . . . 0.0 112.787 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -67.33 -54.47 20.34 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 116.414 -1.755 . . . . 0.0 108.634 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -44.54 -41.75 6.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 121.068 1.758 . . . . 0.0 111.548 -173.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 47' ' ' LYS . 39.2 tp -54.47 -55.48 28.52 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.564 -1.335 . . . . 0.0 112.18 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.6 mmm -68.31 -21.37 64.77 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.52 -42.38 9.74 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 124.588 1.155 . . . . 0.0 108.362 -172.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 HG21 ' A' ' 46' ' ' THR . 74.3 mt -67.86 -40.56 83.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.326 -1.484 . . . . 0.0 108.544 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -58.79 -27.75 65.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.325 -1.485 . . . . 0.0 111.529 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -79.4 -27.62 41.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.495 1.118 . . . . 0.0 110.935 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.43 -32.83 70.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 121.751 2.069 . . . . 0.0 106.995 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HD22 ' A' ' 37' ' ' LEU . 15.8 tp -70.44 -43.88 69.0 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 118.537 0.608 . . . . 0.0 110.802 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.21 68.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.435 0.694 . . . . 0.0 110.732 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -50.39 20.6 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 109.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 40.29 0.58 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.168 1.365 . . . . 0.0 111.482 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 -25.04 2.73 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.724 1.21 . . . . 0.0 110.706 -168.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD22 HD13 ' A' ' 32' ' ' LEU . 6.9 tt -52.41 148.15 7.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.563 1.145 . . . . 0.0 112.715 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -118.03 126.12 51.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.116 1.367 . . . . 0.0 107.745 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m120 47.0 98.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 130.082 3.353 . . . . 0.0 113.174 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.5 p -56.77 -21.06 25.68 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.819 -1.176 . . . . 0.0 112.215 172.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 m -53.86 -30.34 45.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.664 1.186 . . . . 0.0 111.883 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -43.01 39.46 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.912 1.285 . . . . 0.0 110.796 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -43.26 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.876 1.216 . . . . 0.0 110.499 171.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -55.67 13.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 127.174 2.19 . . . . 0.0 112.274 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.57 -37.91 79.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 126.094 1.757 . . . . 0.0 109.043 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.577 HG22 HD13 ' A' ' 50' ' ' ILE . 87.1 m -67.44 -46.54 72.81 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -173.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HD2' ' CD1' ' A' ' 25' ' ' LEU 0.304 0.0 OUTLIER -60.42 -33.52 72.64 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 118.883 -2.386 . . . . 0.0 115.187 175.591 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -62.45 -47.1 85.53 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.7 -35.27 52.28 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.121 0.888 . . . . 0.0 110.054 -170.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -55.58 -50.82 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 169.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.74 37.08 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.101 -1.039 . . . . 0.0 112.72 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -65.16 1.05 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.871 2.068 . . . . 0.0 108.745 167.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 21' ' ' LYS . 4.0 mp -58.05 -54.31 33.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 O-C-N 121.186 -0.946 . . . . 0.0 111.911 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.668 1.576 . . . . 0.0 110.28 -176.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 m -62.14 -39.41 92.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.487 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.74 -39.9 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.251 1.841 . . . . 0.0 109.954 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.99 -49.65 76.1 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.06 -42.27 98.17 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.027 0.931 . . . . 0.0 110.241 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.68 -26.54 56.81 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.548 1.539 . . . . 0.0 112.621 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mtp-105 -94.9 -16.78 22.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.627 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -68.91 -63.83 0.99 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.78 -16.46 58.36 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.531 1.514 . . . . 0.0 113.062 -172.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.51 68.84 1.48 Allowed Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -168.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 CA--C 1.535 0.377 0 C-N-CA 124.492 1.117 . . . . 0.0 110.163 173.646 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -40.14 -31.68 0.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 120.311 1.414 . . . . 0.0 112.985 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.99 -28.16 39.52 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -101.89 -43.1 5.91 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 125.053 1.341 . . . . 0.0 110.598 -171.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -11.31 43.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.827 0.739 . . . . 0.0 110.61 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -9.67 58.76 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 116.438 -1.744 . . . . 0.0 113.178 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.681 ' HB2' HD13 ' A' ' 14' ' ' LEU . 80.0 m-85 -84.98 168.98 14.46 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.469 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 49.9 p -95.7 155.91 16.55 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-O 116.021 -1.943 . . . . 0.0 107.084 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -33.64 -44.39 0.15 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 129.353 3.061 . . . . 0.0 112.06 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.77 -47.96 23.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.761 -1.108 . . . . 0.0 113.729 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' H ' ' A' ' 10' ' ' THR . 13.3 mt-10 -64.7 -31.8 73.18 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.08 172.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -57.62 -65.55 0.61 Allowed 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 179.435 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -41.85 76.03 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 120.536 1.517 . . . . 0.0 110.599 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.8 -7.62 35.79 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.56 -43.78 5.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 127.512 2.325 . . . . 0.0 107.602 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD22 HG23 ' A' ' 53' ' ' ILE . 1.7 mt -83.7 -25.74 30.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 120.881 -1.137 . . . . 0.0 109.961 -168.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -41.57 95.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.638 162.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -69.63 -45.82 67.63 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.261 1.024 . . . . 0.0 110.548 -173.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.79 -58.17 9.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -45.92 49.23 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.164 1.802 . . . . 0.0 112.113 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -66.83 -44.91 79.85 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 116.816 -1.564 . . . . 0.0 111.729 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -48.8 -49.89 36.82 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 119.97 1.259 . . . . 0.0 108.69 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.66 -53.46 30.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.632 0.651 . . . . 0.0 111.251 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttt -57.73 -32.21 67.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.818 1.647 . . . . 0.0 114.4 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.57 -40.66 10.66 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.204 1.001 . . . . 0.0 110.723 -172.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 46' ' ' THR . 94.8 mt -59.49 -46.97 87.28 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.343 1.057 . . . . 0.0 109.504 170.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.14 -22.62 64.86 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.634 -1.291 . . . . 0.0 112.313 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.76 -31.7 52.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.674 1.19 . . . . 0.0 110.202 173.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -74.96 -33.75 61.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 121.413 1.915 . . . . 0.0 107.059 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.71 -54.72 43.75 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 124.182 0.993 . . . . 0.0 111.058 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.62 -36.24 69.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.916 0.886 . . . . 0.0 110.498 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.5 mmt -75.26 -12.33 60.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.367 1.067 . . . . 0.0 112.496 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.3 13.5 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 127.854 2.645 . . . . 0.0 111.431 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.73 -23.53 8.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.678 1.239 . . . . 0.0 111.57 -165.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 43' ' ' ILE . 3.2 tt -82.62 115.58 21.64 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.837 1.255 . . . . 0.0 111.741 172.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -24.78 -77.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -172.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -160.3 44.1 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.132 0.573 . . . . 0.0 110.437 -167.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.6 p 53.09 -8.82 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 128.482 2.713 . . . . 0.0 117.62 -175.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -57.02 -42.3 80.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 120.742 1.61 . . . . 0.0 110.385 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.96 0.904 . . . . 0.0 109.348 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -57.75 -43.7 84.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 119.27 0.941 . . . . 0.0 110.749 173.238 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -44.05 86.81 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 120.499 1.499 . . . . 0.0 109.295 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.55 -17.47 62.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.83 1.652 . . . . 0.0 112.917 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.489 HG21 HD12 ' A' ' 28' ' ' LEU . 3.5 m -83.47 -54.79 4.7 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 170.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -49.46 -42.9 44.42 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.188 2.195 . . . . 0.0 112.911 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.92 70.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 119.304 0.956 . . . . 0.0 111.268 176.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -38.15 48.13 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.91 -41.52 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 120.901 1.682 . . . . 0.0 108.915 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.2 80.25 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.605 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -59.98 4.35 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.043 1.292 . . . . 0.0 111.919 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.736 HG23 HD22 ' A' ' 18' ' ' LEU . 3.1 mp -55.53 -54.43 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 124.933 1.293 . . . . 0.0 111.269 177.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -35.0 78.24 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.975 -1.703 . . . . 0.0 109.257 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -56.52 -44.68 81.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 116.622 -1.656 . . . . 0.0 110.047 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -50.59 -55.59 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 116.518 -1.706 . . . . 0.0 107.547 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tt -55.31 -49.06 73.13 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 119.645 1.111 . . . . 0.0 108.997 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -47.26 74.27 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.316 0.962 . . . . 0.0 111.489 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.57 -38.99 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.084 0.954 . . . . 0.0 110.93 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -70.67 -26.57 63.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.224 1.01 . . . . 0.0 112.031 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.94 -52.47 49.48 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -20.8 46.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.37 0.986 . . . . 0.0 112.471 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.79 18.36 54.65 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.038 -0.868 . . . . 0.0 113.52 -173.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 125.784 1.634 . . . . 0.0 111.433 -179.642 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.489 ' CB ' HD11 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 9.7 p -40.43 -27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.062 0.851 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 7.7 pt-20 -89.38 -41.3 12.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HG13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -72.12 -49.64 34.4 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.655 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -76.1 -0.08 20.64 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.485 177.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 4' ' ' SER . 1.4 t30 -75.52 -4.75 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 109.582 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' A' ' 17' ' ' LEU . 70.3 m-85 -104.27 167.4 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 111.58 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 p -85.23 148.8 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER -38.17 -50.52 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.838 0.711 . . . . 0.0 109.382 -179.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -59.45 -44.31 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.255 0.972 . . . . 0.0 110.651 179.357 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.33 -43.36 77.69 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.106 0.879 . . . . 0.0 110.457 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.538 ' CD1' ' CG ' ' A' ' 14' ' ' LEU . 1.7 mm? -42.74 -67.25 0.29 Allowed 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.044 0.84 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -53.57 -41.93 67.04 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.999 0.812 . . . . 0.0 109.168 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 2.2 t30 -68.4 -5.58 19.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.162 0.914 . . . . 0.0 109.36 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -108.84 -36.92 6.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -83.37 -42.4 17.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.06 0.85 . . . . 0.0 108.952 -179.1 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.71 -28.95 36.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.196 0.935 . . . . 0.0 110.193 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 10.8 tt0 -80.11 -32.2 39.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.248 0.968 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.852 ' HE2' HD13 ' A' ' 53' ' ' ILE . 26.8 mmmt -76.15 -56.13 4.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -57.68 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.296 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -59.41 -45.03 92.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.35 1.031 . . . . 0.0 110.118 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.463 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -44.51 -58.51 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.052 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -47.93 -50.96 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.942 0.776 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 tpt -64.96 -24.91 67.66 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.589 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -84.56 -33.86 23.36 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.987 0.804 . . . . 0.0 109.852 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.735 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -71.24 -50.11 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -58.17 -28.58 64.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.22 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.1 -29.36 66.3 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -72.88 -51.01 20.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.19 0.931 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.755 ' CD2' HG22 ' A' ' 40' ' ' THR . 13.9 tp -55.33 -51.98 64.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.06 0.85 . . . . 0.0 109.646 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.81 -31.89 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.789 1.306 . . . . 0.0 109.526 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.108 0.88 . . . . 0.0 111.191 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.91 45.05 1.14 Allowed Glycine 0 C--O 1.223 -0.575 0 O-C-N 124.229 0.955 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -121.97 -38.29 2.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.064 0.508 . . . . 0.0 110.13 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 28' ' ' LEU . 1.4 tt -46.72 166.51 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.097 0.873 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.682 ' N ' HD23 ' A' ' 37' ' ' LEU . 4.3 tttm -123.64 79.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.053 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.03 121.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.272 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.755 HG22 ' CD2' ' A' ' 32' ' ' LEU . 44.8 p -54.79 -28.16 47.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.222 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -39.86 -35.94 0.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 42' ' ' LEU . 7.6 tt -64.68 -53.32 49.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.718 1.261 . . . . 0.0 109.299 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -50.0 -61.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.02 0.825 . . . . 0.0 109.199 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.7 -38.84 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.078 0.861 . . . . 0.0 109.182 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 45' ' ' LEU . 12.2 mt -72.35 -39.97 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.166 0.916 . . . . 0.0 109.583 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.752 HG22 HD13 ' A' ' 50' ' ' ILE . 1.5 m -70.2 -36.84 74.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 123.784 0.678 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 42.6 tptt -63.43 -55.22 26.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.02 0.825 . . . . 0.0 108.971 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 4.3 ptm180 -44.56 -33.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.841 ' O ' HD12 ' A' ' 53' ' ' ILE . 2.1 m-20 -87.99 -34.31 18.09 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.612 1.195 . . . . 0.0 108.852 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 46' ' ' THR . 0.3 OUTLIER -66.21 -48.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.4 70.71 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.68 -50.78 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.514 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.009 HG23 HD22 ' A' ' 18' ' ' LEU . 1.4 mp -67.18 -51.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.83 -17.27 22.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 123.849 0.718 . . . . 0.0 109.359 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -82.74 -42.33 18.14 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.291 0.994 . . . . 0.0 110.446 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.773 HG13 HD23 ' A' ' 6' ' ' LEU . 2.2 mm -47.14 -49.14 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.35 1.031 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.936 ' HB2' HD12 ' A' ' 18' ' ' LEU . 3.6 tp -56.33 -52.37 64.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.357 1.035 . . . . 0.0 109.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.6 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -54.35 -36.55 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.82 0.7 . . . . 0.0 110.334 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.11 -36.93 83.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.295 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -95.5 0.35 53.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.561 ' C ' HD13 ' A' ' 62' ' ' LEU . 4.9 mt-10 -74.72 -50.56 17.04 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.221 0.951 . . . . 0.0 109.51 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.891 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -89.64 -60.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 108.732 -178.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.32 42.82 0.02 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.9 mm . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.51 152.97 37.04 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 120.414 1.461 . . . . 0.0 111.121 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.541 2.337 . . . . 0.0 108.702 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 m 49.47 -70.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 127.73 2.412 . . . . 0.0 109.406 -141.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.86 -51.1 71.01 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.135 1.374 . . . . 0.0 109.178 -166.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.42 -13.71 62.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.24 -12.16 18.2 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 119.812 1.187 . . . . 0.0 112.923 165.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -84.46 -23.84 29.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.27 1.428 . . . . 0.0 112.171 -170.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.7 m-85 -58.41 162.55 3.63 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 118.924 0.784 . . . . 0.0 110.249 171.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 p -80.58 163.68 23.49 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.4 -0.813 . . . . 0.0 109.668 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 m-20 -57.05 -26.9 61.14 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.476 1.489 . . . . 0.0 112.76 -172.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.65 -39.4 31.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.732 2.013 . . . . 0.0 112.429 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.9 -46.64 65.0 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.005 -1.059 . . . . 0.0 110.757 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' ASP . 33.1 mt -53.85 -57.89 9.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.937 1.695 . . . . 0.0 108.347 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -50.61 59.95 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.221 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.36 -11.79 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.53 -46.68 4.68 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.071 0.939 . . . . 0.0 108.874 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -75.1 -31.26 61.11 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.222 -173.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -57.0 -42.41 80.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.154 0.909 . . . . 0.0 109.893 165.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -64.49 -48.51 74.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.166 0.987 . . . . 0.0 109.804 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.5 mmmt -55.88 -62.12 1.91 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 125.546 1.539 . . . . 0.0 108.255 171.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -47.61 -50.23 24.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 116.593 -1.67 . . . . 0.0 112.463 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -60.14 -55.78 29.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.162 1.347 . . . . 0.0 109.567 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.38 -49.55 13.0 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 126.359 1.863 . . . . 0.0 111.083 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.9 tm? -56.14 -50.57 70.74 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.8 mtt -64.72 -28.55 69.67 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.759 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -84.75 -35.83 22.17 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.673 1.124 . . . . 0.0 109.091 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.02 -49.26 70.87 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.06 0.944 . . . . 0.0 109.093 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -57.04 -36.67 70.76 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.016 -1.052 . . . . 0.0 111.115 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.87 -26.67 67.75 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.254 1.021 . . . . 0.0 111.374 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -81.06 -36.0 31.06 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 120.895 1.68 . . . . 0.0 108.091 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.6 -53.45 34.26 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.719 1.207 . . . . 0.0 109.754 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.36 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.509 1.924 . . . . 0.0 111.942 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp -82.55 -74.59 0.34 Allowed 'General case' 0 N--CA 1.432 -1.349 0 C-N-CA 123.07 0.548 . . . . 0.0 111.46 161.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.33 49.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.486 0 C-N-CA 124.956 1.265 . . . . 0.0 111.957 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -120.73 -60.1 1.69 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.146 1.778 . . . . 0.0 108.664 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 38' ' ' LYS . 14.3 tp -62.75 144.59 56.3 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.174 0.99 . . . . 0.0 109.07 171.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' H ' HD12 ' A' ' 37' ' ' LEU . 55.8 tttt -141.5 -24.62 0.71 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -86.73 101.59 13.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.589 1.086 . . . . 0.0 109.955 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.2 p -81.93 -21.49 37.25 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 120.892 -1.13 . . . . 0.0 113.337 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 m -60.4 -38.92 85.5 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 119.224 0.92 . . . . 0.0 109.303 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.07 -49.68 74.97 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.35 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 119.675 1.125 . . . . 0.0 110.306 173.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.9 85.21 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.332 1.053 . . . . 0.0 112.943 -170.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.52 -43.68 89.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.641 2.376 . . . . 0.0 109.674 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 50' ' ' ILE . 45.2 m -61.9 -42.43 99.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HD3' HD21 ' A' ' 25' ' ' LEU . 5.3 mmmm -54.56 -42.62 71.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 121.392 1.906 . . . . 0.0 114.063 173.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -45.91 90.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -174.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -82.53 -33.77 28.09 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.576 -173.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.465 HD13 HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -52.97 -50.06 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.293 0 O-C-N 119.891 -1.755 . . . . 0.0 107.776 166.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.01 73.33 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.089 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -55.72 -57.64 11.16 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 120.555 1.525 . . . . 0.0 113.145 175.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.507 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.1 mt -54.03 -55.85 12.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.449 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.64 67.22 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.153 -1.592 . . . . 0.0 110.406 -176.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -62.76 -47.76 82.11 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.336 164.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mm -51.63 -49.85 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 120.887 1.676 . . . . 0.0 108.191 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -54.22 -53.07 58.6 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.175 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -56.23 11.12 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.302 0.956 . . . . 0.0 110.668 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.01 -40.03 63.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.277 1.431 . . . . 0.0 109.589 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -70.51 -29.33 65.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.544 0.737 . . . . 0.0 112.009 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -62.35 -55.48 27.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.051 0.94 . . . . 0.0 109.336 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -23.33 50.95 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.168 1.349 . . . . 0.0 113.811 -167.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.78 2.95 14.19 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 118.717 -1.046 . . . . 0.0 113.818 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mm -73.67 -19.02 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 120.276 2.038 . . . . 0.0 110.433 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -136.56 47.19 2.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 110.076 -176.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 129.084 2.954 . . . . 0.0 111.154 -176.441 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -63.96 156.45 27.84 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.012 -1.68 . . . . 0.0 109.502 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.92 1.76 26.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 115.72 -2.086 . . . . 0.0 111.495 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 m -46.21 -39.62 10.07 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 122.074 2.215 . . . . 0.0 110.892 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.35 -60.72 2.88 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.713 1.605 . . . . 0.0 112.947 172.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.68 -47.03 61.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 125.547 1.539 . . . . 0.0 109.637 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.78 63.33 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.888 0.875 . . . . 0.0 111.247 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -19.74 60.78 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 118.224 -0.893 . . . . 0.0 112.644 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.515 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.268 38.5 m-85 -65.86 161.22 21.57 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 119.616 1.098 . . . . 0.0 109.405 -178.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.63 160.59 25.02 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.19 -35.63 60.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.66 1.573 . . . . 0.0 112.272 -171.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.09 -51.28 40.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.549 1.54 . . . . 0.0 112.197 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.37 -37.9 89.05 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.075 -1.015 . . . . 0.0 111.868 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 11' ' ' ASP . 32.4 mt -53.48 -65.61 0.53 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.464 1.505 . . . . 0.0 107.367 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -41.96 79.98 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 116.911 -1.518 . . . . 0.0 111.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -65.11 -15.4 62.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 120.367 1.44 . . . . 0.0 113.163 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.39 -43.49 5.92 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.582 HD22 HG23 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -77.97 -28.98 49.55 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -172.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -59.81 -36.38 76.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.904 164.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.0 -51.5 61.32 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.772 0.715 . . . . 0.0 110.789 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE2' HD13 ' A' ' 53' ' ' ILE . 25.4 mmmt -56.77 -56.95 15.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 120.547 -1.346 . . . . 0.0 107.512 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -48.21 -42.73 30.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 115.964 -1.97 . . . . 0.0 113.76 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -70.3 -50.36 40.16 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.836 2.107 . . . . 0.0 110.044 173.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -45.98 -44.93 15.39 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 126.87 2.068 . . . . 0.0 111.046 -174.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.47 -54.88 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.001 -1.062 . . . . 0.0 111.752 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 53.1 mtt -65.7 -26.89 67.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.229 0.612 . . . . 0.0 112.368 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.56 -36.52 22.07 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.115 2.166 . . . . 0.0 111.077 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.59 -51.81 13.52 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -54.71 -31.87 58.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.473 0.578 . . . . 0.0 110.645 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -67.59 -36.27 80.56 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.404 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -77.9 -20.94 52.0 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 121.709 2.05 . . . . 0.0 108.491 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.93 -55.72 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.351 1.06 . . . . 0.0 110.429 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.44 20.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.632 1.973 . . . . 0.0 111.649 176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -75.8 0.19 Allowed 'General case' 0 N--CA 1.435 -1.203 0 C-N-CA 124.036 0.934 . . . . 0.0 109.425 165.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.3 31.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 114.731 0.653 . . . . 0.0 114.731 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -112.95 -37.01 4.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.538 2.735 . . . . 0.0 109.498 -164.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.68 123.88 22.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.039 1.736 . . . . 0.0 109.81 -171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -70.59 -36.26 73.47 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -166.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -155.84 162.46 40.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.453 1.479 . . . . 0.0 111.252 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -102.8 -13.14 17.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -63.36 -31.4 72.54 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 120.113 1.324 . . . . 0.0 110.534 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.94 -56.32 20.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.95 -44.58 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.631 0.772 . . . . 0.0 110.856 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -43.11 95.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.144 0.978 . . . . 0.0 112.441 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -30.49 70.06 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.884 1.674 . . . . 0.0 107.658 174.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HD13 ' A' ' 50' ' ' ILE . 3.4 m -66.29 -54.46 24.5 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.68 -1.263 . . . . 0.0 108.509 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.426 0.0 OUTLIER -57.42 -23.64 50.71 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.357 1.89 . . . . 0.0 114.98 176.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -70.38 -48.58 55.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.606 1.548 . . . . 0.0 107.899 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.54 77.9 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.653 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.93 -50.91 76.3 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 119.755 1.161 . . . . 0.0 107.952 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.67 -4.75 32.99 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 119.077 0.853 . . . . 0.0 112.457 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -64.47 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.217 1.407 . . . . 0.0 108.903 165.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.582 HG23 HD22 ' A' ' 18' ' ' LEU . 2.0 mp -54.01 -54.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 125.403 1.481 . . . . 0.0 112.061 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -23.06 67.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 119.193 0.906 . . . . 0.0 111.248 -175.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -76.2 -43.25 43.26 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.584 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mm -46.35 -49.32 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.716 1.598 . . . . 0.0 111.467 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -52.57 -59.4 4.49 Favored 'General case' 0 C--O 1.223 -0.313 0 O-C-N 124.426 1.079 . . . . 0.0 108.424 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -50.0 59.49 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.252 1.421 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -52.22 -37.96 56.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.844 1.258 . . . . 0.0 111.911 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -69.8 -35.28 74.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.31 -55.18 36.83 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 125.524 1.765 . . . . 0.0 108.986 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -54.61 12.31 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.035 0.38 . . . . 0.0 111.3 -174.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.11 -3.75 0.58 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 -161.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm -75.94 -29.18 19.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 119.381 1.59 . . . . 0.0 110.628 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -133.04 75.01 1.6 Allowed 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 112.46 -2.155 . . . . 0.0 108.442 169.018 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 120.75 0.309 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -89.16 152.87 21.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.754 1.221 . . . . 0.0 108.817 170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -121.13 -75.33 0.59 Allowed 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.825 1.25 . . . . 0.0 108.351 169.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 m 62.82 -60.82 0.13 Allowed 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 127.386 2.274 . . . . 0.0 110.248 -147.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.92 -46.69 42.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.921 1.343 . . . . 0.0 109.847 -166.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 28.6 mt -81.16 -9.99 59.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 124.624 1.169 . . . . 0.0 111.962 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -3.64 39.77 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.33 -1.481 . . . . 0.0 110.639 165.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.2 -37.84 23.09 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 117.115 -1.421 . . . . 0.0 110.518 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.871 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.336 14.1 m-85 -73.25 172.13 11.73 Favored 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 124.086 0.866 . . . . 0.0 110.42 -174.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' HD22 ' A' ' 14' ' ' LEU . 68.7 p -84.55 150.89 24.92 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -38.32 -38.34 0.35 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.207 1.803 . . . . 0.0 110.303 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.9 -41.38 91.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.06 1.744 . . . . 0.0 113.835 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.74 -39.58 35.8 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.35 1.86 . . . . 0.0 111.019 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.871 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -53.92 -66.59 0.37 Allowed 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 125.467 1.507 . . . . 0.0 107.831 173.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 -45.85 29.5 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.783 1.628 . . . . 0.0 111.119 -174.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -68.19 -14.87 63.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.0 -44.72 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.527 1.531 . . . . 0.0 108.829 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.73 -32.59 57.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -171.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.51 -36.76 71.97 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.209 0.943 . . . . 0.0 110.294 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.49 -51.01 65.18 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 122.983 0.513 . . . . 0.0 109.766 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.6 mmmt -59.23 -56.87 16.65 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -46.94 -47.57 21.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 116.848 -1.548 . . . . 0.0 111.811 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -66.08 -53.33 39.59 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 119.436 1.017 . . . . 0.0 111.122 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.02 -41.6 59.91 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 119.833 1.197 . . . . 0.0 111.402 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 tp -53.57 -52.64 59.09 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.081 1.31 . . . . 0.0 110.836 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.4 mtp -65.88 -24.85 66.95 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.764 0.825 . . . . 0.0 113.086 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.24 -40.32 10.5 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.816 -1.177 . . . . 0.0 109.418 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.61 -38.61 91.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 O-C-N 119.915 -1.74 . . . . 0.0 109.786 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm85 -65.35 -23.69 67.06 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.251 -0.906 . . . . 0.0 111.274 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -73.79 -36.97 65.08 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.274 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -76.01 -34.22 59.7 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 121.297 1.862 . . . . 0.0 107.125 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.4 tm? -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.777 1.631 . . . . 0.0 111.129 172.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.09 69.45 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.636 1.174 . . . . 0.0 111.318 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -74.11 -26.31 60.27 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.756 0.822 . . . . 0.0 111.679 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.36 19.0 8.65 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 126.409 1.957 . . . . 0.0 114.235 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -111.8 -28.35 8.11 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 119.535 1.668 . . . . 0.0 111.985 -163.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 84.94 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.89 2.076 . . . . 0.0 111.24 172.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -84.33 -2.66 57.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.451 -165.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -127.59 96.61 4.59 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 120.256 1.389 . . . . 0.0 109.7 166.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -61.87 -20.65 63.94 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 m -62.72 -29.66 70.84 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 119.727 1.148 . . . . 0.0 111.889 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.52 -46.69 87.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.178 0.899 . . . . 0.0 108.817 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.63 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 118.613 0.642 . . . . 0.0 109.433 173.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -40.72 70.52 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.317 1.047 . . . . 0.0 112.252 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.76 -32.91 70.22 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.596 1.558 . . . . 0.0 108.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 HD13 ' A' ' 50' ' ' ILE . 85.3 m -72.41 -49.16 35.78 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.002 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER -56.85 -29.12 62.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 122.445 2.384 . . . . 0.0 115.45 174.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -65.58 -39.56 91.75 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.28 -33.51 16.1 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.557 -1.211 . . . . 0.0 108.952 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -54.83 -53.99 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -25.06 65.73 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 117.811 -1.555 . . . . 0.0 111.069 -169.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -58.69 3.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.711 1.204 . . . . 0.0 111.165 170.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.421 ' O ' HD13 ' A' ' 18' ' ' LEU . 4.1 mt -57.1 -58.48 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 C-N-CA 126.256 1.823 . . . . 0.0 110.836 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -30.97 67.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.832 0.742 . . . . 0.0 110.507 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.8 m -67.45 -34.96 78.27 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 116.381 -1.771 . . . . 0.0 111.68 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mm -54.29 -49.53 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 122.15 2.25 . . . . 0.0 109.569 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tp -51.46 -56.19 14.64 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -47.33 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.005 0.922 . . . . 0.0 111.696 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.74 -38.45 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.339 0.656 . . . . 0.0 110.751 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' HB3' HH11 ' A' ' 60' ' ' ARG . 0.0 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.487 0.715 . . . . 0.0 111.182 176.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.111 0.965 . . . . 0.0 110.739 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.19 -11.67 37.64 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.992 0.815 . . . . 0.0 112.027 178.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.34 43.99 18.6 Favored Glycine 0 N--CA 1.451 -0.32 0 O-C-N 121.387 -0.821 . . . . 0.0 112.951 -170.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.7 mm -80.64 -30.62 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 C-N-CA 125.061 1.345 . . . . 0.0 109.485 163.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -110.08 26.51 10.59 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.965 1.706 . . . . 0.0 110.301 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 . . . . . 0 C--O 1.245 0.825 0 C-N-CA 128.66 2.784 . . . . 0.0 111.673 -176.329 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -58.2 -37.31 74.55 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.723 1.209 . . . . 0.0 111.498 -175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.24 -64.76 1.2 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.998 1.719 . . . . 0.0 108.446 155.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.9 m 32.82 -71.11 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 127.82 2.448 . . . . 0.0 110.077 -124.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 125.751 1.62 . . . . 0.0 111.596 -157.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 56' ' ' ILE . 7.2 mp -76.12 -1.74 27.58 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.455 -1.403 . . . . 0.0 113.256 176.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -108.78 -9.76 15.19 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 118.919 -2.363 . . . . 0.0 110.582 164.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -81.48 -32.84 32.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 117.503 -1.237 . . . . 0.0 111.193 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.897 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.292 96.5 m-85 -65.32 174.16 2.24 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 120.199 1.363 . . . . 0.0 111.535 -176.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.9 p -78.2 147.88 34.27 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 160.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.26 -33.11 1.47 Allowed 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.666 1.986 . . . . 0.0 112.713 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.92 -47.77 61.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.268 1.427 . . . . 0.0 113.749 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -66.86 -32.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.762 1.225 . . . . 0.0 111.342 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.3 mm? -60.77 -65.95 0.61 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -42.91 72.97 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 120.595 1.543 . . . . 0.0 110.45 -173.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -67.89 -6.0 19.59 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -109.32 -44.66 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.134 1.374 . . . . 0.0 108.562 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -73.81 -32.86 63.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.212 0.605 . . . . 0.0 109.675 -175.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.9 -36.43 67.66 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.317 0.647 . . . . 0.0 110.137 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.28 -41.21 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.107 0.479 . . . . 0.0 110.322 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 53' ' ' ILE . 27.3 mmmt -60.42 -62.8 1.6 Allowed 'General case' 0 N--CA 1.443 -0.825 0 O-C-N 120.113 -1.617 . . . . 0.0 108.302 172.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -40.12 57.46 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.507 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -69.83 -50.35 43.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 120.511 1.505 . . . . 0.0 111.081 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.55 -40.42 51.86 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 125.194 1.397 . . . . 0.0 109.462 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.23 -47.85 69.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 120.985 -1.072 . . . . 0.0 112.848 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.3 mtt -66.42 -4.86 9.1 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.842 172.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -35.31 7.11 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.396 0.617 . . . . 0.0 111.125 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.82 -36.52 80.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 119.347 -2.096 . . . . 0.0 108.351 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -59.04 -33.78 71.17 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.275 -1.516 . . . . 0.0 111.81 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -35.87 73.32 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.936 1.294 . . . . 0.0 110.726 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.68 -41.74 75.04 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 120.433 1.47 . . . . 0.0 107.881 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.1 tm? -61.56 -53.05 61.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.241 0.616 . . . . 0.0 109.833 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -14.77 35.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.522 1.129 . . . . 0.0 112.806 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -40.55 12.55 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.473 1.109 . . . . 0.0 111.265 168.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.97 26.87 1.31 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 127.938 2.685 . . . . 0.0 113.564 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -118.83 -20.25 8.27 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.941 1.37 . . . . 0.0 111.936 -160.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 109.78 0.75 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.475 1.51 . . . . 0.0 114.061 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -58.44 85.5 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.421 2.288 . . . . 0.0 112.832 166.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 m120 61.54 123.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.803 2.841 . . . . 0.0 112.495 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -9.99 12.46 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 119.553 -1.967 . . . . 0.0 113.705 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -49.63 -39.5 36.12 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 120.897 -1.127 . . . . 0.0 111.986 162.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -48.75 80.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.777 1.231 . . . . 0.0 109.127 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -53.91 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 171.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -43.66 84.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.745 1.157 . . . . 0.0 112.386 -174.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.43 -34.08 75.35 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 125.795 1.638 . . . . 0.0 109.168 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.518 HG22 HD13 ' A' ' 50' ' ' ILE . 93.3 m -74.37 -42.89 58.55 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.21 -47.29 65.72 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.034 -1.666 . . . . 0.0 111.894 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -56.63 -37.2 70.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 110.349 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.88 -31.78 18.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.135 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.63 -54.02 40.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.118 0 CA-C-N 120.206 1.366 . . . . 0.0 107.586 174.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.41 65.04 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.458 -170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -60.76 2.25 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 126.076 1.75 . . . . 0.0 109.623 171.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.565 HD13 ' HG3' ' A' ' 21' ' ' LYS . 28.5 mt -60.45 -52.4 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 125.557 1.543 . . . . 0.0 112.042 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.68 67.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.895 0.77 . . . . 0.0 110.271 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -62.96 -44.54 95.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 117.092 -1.432 . . . . 0.0 110.822 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 6' ' ' LEU . 1.8 mm -49.69 -47.52 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.628 1.558 . . . . 0.0 111.149 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -54.6 -53.91 48.35 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -48.76 63.82 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.96 -1.088 . . . . 0.0 112.463 174.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.51 -31.42 66.03 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.048 0.939 . . . . 0.0 111.493 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -69.25 -34.17 74.37 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.482 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.37 -61.3 2.31 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 118.522 -0.752 . . . . 0.0 109.543 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.7 176.74 7.43 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.03 17.06 1.4 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.127 -1.608 . . . . 0.0 116.545 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.7 mm -77.49 -32.42 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 120.399 2.099 . . . . 0.0 112.57 -166.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -108.12 55.19 0.65 Allowed 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 -169.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.431 -1.412 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 151.084 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -145.45 154.22 42.02 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.578 1.535 . . . . 0.0 110.84 -161.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.91 -70.89 0.76 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.398 1.479 . . . . 0.0 110.603 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m 44.81 -67.44 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 127.212 2.205 . . . . 0.0 110.141 -127.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -65.67 -44.62 85.73 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.206 -157.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 HG13 ' A' ' 56' ' ' ILE . 2.2 mp -75.54 -9.2 58.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.846 1.658 . . . . 0.0 112.061 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.7 -5.21 29.2 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.59 1.156 . . . . 0.0 111.469 167.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.29 -27.74 20.34 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -164.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.654 ' HB2' HD13 ' A' ' 14' ' ' LEU . 84.1 m-85 -81.84 174.69 11.07 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' HD22 ' A' ' 14' ' ' LEU . 31.9 p -77.52 157.75 30.23 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 120.611 -1.306 . . . . 0.0 108.115 170.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.59 -33.03 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 128.096 2.558 . . . . 0.0 113.673 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -88.4 -29.83 19.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.43 -36.51 60.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 109.565 167.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -56.07 -63.05 1.31 Allowed 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 129.5 3.12 . . . . 0.0 104.815 177.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -46.06 85.3 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.784 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.85 -10.57 39.33 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.146 1.339 . . . . 0.0 113.7 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.14 -50.76 4.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.735 1.255 . . . . 0.0 108.061 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -78.52 -20.51 50.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.881 0.872 . . . . 0.0 110.725 -166.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.2 -38.52 85.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.339 1.456 . . . . 0.0 109.596 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.66 -46.14 63.79 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.425 1.012 . . . . 0.0 110.409 -170.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.67 ' HG3' HD13 ' A' ' 53' ' ' ILE . 2.5 mmmm -54.39 -58.93 5.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -45.81 -45.72 14.99 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 116.922 -1.513 . . . . 0.0 113.543 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -70.44 -49.41 48.98 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 121.921 2.146 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -47.19 -47.34 24.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 110.364 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 47' ' ' LYS . 9.2 tp -50.63 -58.27 6.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.407 0.548 . . . . 0.0 110.549 176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.2 -40.97 71.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.783 0.833 . . . . 0.0 111.788 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.46 -36.21 39.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.799 1.285 . . . . 0.0 108.559 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mp -69.6 -44.19 71.26 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.432 -0.793 . . . . 0.0 109.889 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -63.07 -27.31 69.31 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.509 -1.369 . . . . 0.0 111.794 174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.77 -45.46 71.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.252 1.821 . . . . 0.0 110.766 172.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.21 -40.28 93.94 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 120.61 1.55 . . . . 0.0 107.724 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.9 tm? -56.33 -54.43 45.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.622 1.169 . . . . 0.0 110.529 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -40.62 81.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.14 1.376 . . . . 0.0 111.593 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -42.88 82.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.462 0.305 . . . . 0.0 111.072 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.47 41.28 0.33 Allowed Glycine 0 N--CA 1.44 -1.033 0 C-N-CA 127.389 2.423 . . . . 0.0 113.33 166.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -119.68 -25.76 5.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.575 1.187 . . . . 0.0 112.843 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -65.1 0.74 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.2 mptt 43.87 178.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.78 1.632 . . . . 0.0 112.263 -158.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 65.98 -53.55 0.39 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.028 2.131 . . . . 0.0 114.644 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p 65.95 -11.9 0.19 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 130.323 3.449 . . . . 0.0 116.163 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -48.97 -46.28 43.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 119.455 1.025 . . . . 0.0 111.153 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.91 -44.73 76.24 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.801 -0.619 . . . . 0.0 109.367 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.35 -46.79 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 119.337 0.971 . . . . 0.0 111.097 170.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.52 96.69 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 120.265 1.393 . . . . 0.0 110.139 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -33.12 74.97 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 121.168 -0.957 . . . . 0.0 108.595 176.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.605 HG22 HD13 ' A' ' 50' ' ' ILE . 28.4 m -65.3 -54.52 27.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.378 0.0 OUTLIER -51.53 -43.29 62.26 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 121.343 1.883 . . . . 0.0 115.297 178.601 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -59.22 -37.07 76.59 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.631 1.105 . . . . 0.0 110.324 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -87.54 -34.31 18.63 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 125.092 1.357 . . . . 0.0 108.471 -175.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.605 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -60.19 -53.63 46.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.06 16.6 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.902 -1.124 . . . . 0.0 112.966 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.513 HH11 HD22 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.73 -58.98 2.33 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.733 1.613 . . . . 0.0 110.658 165.108 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.67 HD13 ' HG3' ' A' ' 21' ' ' LYS . 6.2 mt -62.18 -56.19 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 126.681 1.992 . . . . 0.0 112.4 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -30.93 68.37 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.013 -1.054 . . . . 0.0 110.75 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -60.19 -52.2 66.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.725 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.626 HG13 HD23 ' A' ' 6' ' ' LEU . 2.0 mm -51.14 -45.91 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.948 1.249 . . . . 0.0 110.077 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -54.65 30.43 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 124.039 0.837 . . . . 0.0 108.89 174.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.5 71.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.64 -43.56 62.67 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.263 1.025 . . . . 0.0 109.115 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -70.79 -34.87 72.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 117.98 -1.009 . . . . 0.0 113.421 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.54 -48.43 74.72 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.484 1.115 . . . . 0.0 108.827 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.05 -30.84 22.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.702 0.683 . . . . 0.0 111.623 -178.454 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.34 10.26 5.14 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.073 0.789 . . . . 0.0 115.073 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.23 -31.82 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.384 1.592 . . . . 0.0 110.678 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.7 mmt-85 -120.3 31.17 6.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 124.241 1.016 . . . . 0.0 110.588 -164.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 . . . . . 0 N--CA 1.439 -0.984 0 O-C-N 125.216 1.573 . . . . 0.0 107.7 164.416 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 119.893 -0.098 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt 53.88 -169.02 0.06 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 126.22 1.808 . . . . 0.0 112.541 171.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.85 -70.74 0.76 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.897 1.679 . . . . 0.0 109.182 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m 44.47 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 127.424 2.289 . . . . 0.0 110.545 -127.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -50.15 -54.49 20.39 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 127.376 2.271 . . . . 0.0 110.61 -162.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.03 -43.42 67.94 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 125.769 1.628 . . . . 0.0 112.189 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.11 -21.29 61.5 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.345 0.975 . . . . 0.0 111.019 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -10.27 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.613 1.165 . . . . 0.0 113.138 -170.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' HB2' HD13 ' A' ' 14' ' ' LEU . 26.5 m-85 -77.52 172.89 12.66 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.474 1.034 . . . . 0.0 110.671 -173.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.437 ' C ' HD22 ' A' ' 14' ' ' LEU . 21.4 p -85.77 155.4 21.04 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.676 -1.155 . . . . 0.0 108.03 170.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.47 -33.66 9.79 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 122.002 2.183 . . . . 0.0 113.613 -173.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.75 -45.48 74.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.334 1.021 . . . . 0.0 111.858 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.54 -38.11 77.37 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.423 0.689 . . . . 0.0 110.705 173.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -55.24 -61.46 2.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.797 1.639 . . . . 0.0 107.131 -177.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -55.4 -42.86 74.64 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.539 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.3 -4.61 14.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 120.423 1.465 . . . . 0.0 113.482 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -53.68 4.58 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 120.158 -1.589 . . . . 0.0 107.946 163.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -88.93 -25.38 22.11 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.447 -0.783 . . . . 0.0 112.637 -158.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.42 70.97 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.027 2.131 . . . . 0.0 108.813 160.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -56.21 23.87 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 119.491 1.042 . . . . 0.0 110.325 -174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.8 mmmt -59.92 -52.28 66.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -177.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -45.39 -54.66 6.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.943 1.247 . . . . 0.0 111.794 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -60.62 -50.92 71.59 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.398 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.72 -55.31 9.81 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.474 1.11 . . . . 0.0 109.974 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.12 -49.53 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.752 1.614 . . . . 0.0 111.86 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 ttt -65.85 -31.32 72.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 125.816 1.646 . . . . 0.0 113.094 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -83.22 -36.97 24.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 109.823 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 HG21 ' A' ' 46' ' ' THR . 99.4 mt -68.81 -46.06 69.62 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.116 1.767 . . . . 0.0 109.292 176.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -60.22 -33.26 72.01 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.483 -1.386 . . . . 0.0 110.31 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -66.46 -30.29 70.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.744 -1.122 . . . . 0.0 111.328 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.53 -41.82 62.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 121.188 1.813 . . . . 0.0 108.458 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.85 -52.93 63.33 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.259 1.024 . . . . 0.0 110.729 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.28 -14.43 55.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.883 0.873 . . . . 0.0 111.833 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.15 -10.15 26.5 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.68 1.127 . . . . 0.0 112.892 168.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.7 36.76 13.01 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 128.169 2.795 . . . . 0.0 111.637 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -119.0 -23.12 6.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.275 1.03 . . . . 0.0 110.52 -168.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -74.06 140.79 45.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.186 0.994 . . . . 0.0 109.186 172.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 37' ' ' LEU . 13.7 mptt -48.95 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.615 1.166 . . . . 0.0 111.353 174.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -151.38 140.94 21.65 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.212 1.405 . . . . 0.0 107.342 -168.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -56.98 -15.8 5.69 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 p -55.44 -34.28 64.32 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.412 1.085 . . . . 0.0 111.726 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.01 -46.33 71.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.328 1.051 . . . . 0.0 109.386 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -44.96 83.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.824 174.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -47.08 77.45 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 121.149 1.795 . . . . 0.0 110.646 -177.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' HH11 ' A' ' 48' ' ' ARG . 11.1 mt -66.17 -41.77 89.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 123.564 0.746 . . . . 0.0 109.131 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 50' ' ' ILE . 97.7 m -63.74 -49.47 72.89 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -54.21 -43.35 70.69 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 127.078 2.151 . . . . 0.0 112.905 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.468 HH11 ' CD2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -56.39 -37.31 69.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.797 1.18 . . . . 0.0 110.681 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.53 -26.42 17.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.752 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -61.95 -53.24 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 CA-C-N 120.786 1.63 . . . . 0.0 106.747 168.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -2.52 11.05 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 118.484 0.584 . . . . 0.0 111.864 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -63.66 1.25 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.209 1.404 . . . . 0.0 111.299 161.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 18' ' ' LEU . 3.7 mp -57.4 -55.34 21.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 120.352 1.433 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -31.79 68.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 120.55 -1.344 . . . . 0.0 110.671 -175.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 m -69.53 -30.45 68.28 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.803 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.89 -46.29 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 122.48 2.4 . . . . 0.0 108.814 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 18' ' ' LEU . 3.0 tt -61.89 -44.36 96.96 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.038 -0.982 . . . . 0.0 108.993 175.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -53.29 -53.94 43.65 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.475 1.034 . . . . 0.0 110.35 178.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.72 -15.46 53.08 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.681 1.593 . . . . 0.0 111.508 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.1 mtm105 -99.94 -11.09 20.96 Favored 'General case' 0 CA--C 1.525 0.018 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.281 172.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.22 -44.59 83.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 120.681 1.582 . . . . 0.0 106.917 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -107.19 -15.29 14.7 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.733 1.213 . . . . 0.0 113.408 -175.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.76 64.55 2.32 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.594 ' CD1' HD23 ' A' ' 62' ' ' LEU . 17.7 mt -93.29 -84.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 127.218 2.207 . . . . 0.0 108.433 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -100.36 14.47 30.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.26 1.024 . . . . 0.0 112.047 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 . . . . . 0 C--O 1.242 0.707 0 C-N-CA 127.299 2.239 . . . . 0.0 110.441 -166.129 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 tpt . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 59.35 -178.08 0.09 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.886 1.674 . . . . 0.0 110.652 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -121.07 -78.65 0.6 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.45 -60.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 128.48 2.712 . . . . 0.0 108.401 -157.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.58 -46.86 58.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.15 0.976 . . . . 0.0 110.337 -173.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 13.3 mt -75.68 -11.68 60.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.86 -1.15 . . . . 0.0 113.145 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.21 24.02 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 113.671 166.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -43.15 89.78 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.377 1.071 . . . . 0.0 110.418 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' HD23 ' A' ' 14' ' ' LEU . 55.1 m-85 -57.44 157.03 7.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 125.099 1.499 . . . . 0.0 112.528 -161.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.0 p -64.78 161.39 18.16 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.376 -0.827 . . . . 0.0 109.822 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -47.7 -32.87 6.22 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 179.215 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -88.93 -43.15 11.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.762 1.225 . . . . 0.0 110.92 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.84 -31.72 72.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.712 1.142 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 11' ' ' ASP . 13.1 mt -61.09 -69.2 0.25 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.083 1.353 . . . . 0.0 107.597 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.09 65.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 116.592 -1.67 . . . . 0.0 109.45 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -68.79 -4.88 17.73 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.478 1.036 . . . . 0.0 113.287 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 -43.47 5.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 120.755 -1.216 . . . . 0.0 109.328 170.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.64 HD22 HG23 ' A' ' 53' ' ' ILE . 1.2 mt -78.97 -32.31 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -168.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -58.36 -43.35 88.32 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.563 1.164 . . . . 0.0 111.4 164.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -67.11 -49.88 63.38 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.767 0.712 . . . . 0.0 109.745 -172.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -54.09 -63.27 1.2 Allowed 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.145 -1.597 . . . . 0.0 107.963 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.32 62.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.946 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.6 -46.45 63.38 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.073 1.761 . . . . 0.0 111.841 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.9 -47.12 60.84 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 126.381 1.872 . . . . 0.0 109.812 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 tp -47.86 -54.69 11.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.96 0.8 . . . . 0.0 111.276 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.78 -22.09 62.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -39.2 18.34 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.588 1.555 . . . . 0.0 108.285 -177.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 37' ' ' LEU . 3.7 mp -62.53 -50.39 71.56 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 -59.48 -28.17 66.77 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.654 -1.279 . . . . 0.0 112.487 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.92 -25.77 59.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 111.514 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -81.7 -29.54 32.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 119.622 -1.924 . . . . 0.0 106.589 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 32' ' ' LEU . 3.3 tm? -68.96 -51.34 40.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.982 1.313 . . . . 0.0 111.477 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.31 -48.46 18.21 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.478 1.511 . . . . 0.0 109.29 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -26.73 63.54 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 123.79 0.836 . . . . 0.0 112.112 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.2 23.86 10.13 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 126.22 1.867 . . . . 0.0 113.571 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -108.46 -31.41 7.83 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.701 1.201 . . . . 0.0 109.942 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 28' ' ' LEU . 7.4 tp -86.19 114.07 22.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.67 1.588 . . . . 0.0 109.519 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -116.0 57.57 0.75 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.117 1.767 . . . . 0.0 108.957 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.97 76.86 0.65 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 120.989 -1.069 . . . . 0.0 109.719 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.9 p -75.83 -31.7 59.48 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.424 -1.422 . . . . 0.0 112.584 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 m -65.8 -32.27 73.71 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.261 0.937 . . . . 0.0 110.283 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.68 -42.82 85.91 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -48.76 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 119.665 1.12 . . . . 0.0 108.845 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -44.69 76.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.198 1.399 . . . . 0.0 111.276 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.12 -23.85 62.17 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 121.102 -0.999 . . . . 0.0 108.99 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.535 HG22 HD13 ' A' ' 50' ' ' ILE 0.251 33.7 m -75.36 -59.01 2.94 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 116.617 -1.658 . . . . 0.0 107.271 178.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.317 0.0 OUTLIER -49.85 -41.56 45.47 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 123.421 2.828 . . . . 0.0 113.691 174.233 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -51.23 -59.8 3.81 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.212 1.005 . . . . 0.0 111.751 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.06 -31.93 61.4 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.059 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 46' ' ' THR . 1.2 mp -50.87 -49.9 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 120.412 1.46 . . . . 0.0 107.144 168.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 -5.13 47.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.977 0.808 . . . . 0.0 111.96 -171.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -61.67 1.66 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.256 1.822 . . . . 0.0 111.287 162.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 18' ' ' LEU . 1.8 mp -54.76 -57.16 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.464 0 C-N-CA 126.14 1.776 . . . . 0.0 113.252 177.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -34.3 70.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -64.45 -41.78 96.35 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 114.56 -2.638 . . . . 0.0 111.014 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -48.66 -46.21 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 123.672 2.942 . . . . 0.0 110.148 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.4 tt -64.42 -43.73 93.42 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.971 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.07 -52.24 26.74 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 122.962 0.505 . . . . 0.0 109.86 170.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -49.86 -29.89 8.94 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.94 1.296 . . . . 0.0 114.472 -173.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -0.56 16.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.26 1.824 . . . . 0.0 114.018 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -80.99 -8.6 59.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 121.551 1.978 . . . . 0.0 109.811 160.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 58' ' ' ARG . 42.2 mt -131.63 -156.59 0.76 Allowed 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 129.32 3.048 . . . . 0.0 105.729 -163.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.0 39.33 1.92 Allowed Glycine 0 CA--C 1.519 0.338 0 CA-C-O 119.035 -0.869 . . . . 0.0 111.603 167.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.2 mm -61.6 -82.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 124.787 1.235 . . . . 0.0 109.04 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -125.24 72.4 1.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 . . . . . 0 C--O 1.248 1.002 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 166.087 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -143.65 146.64 33.4 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 121.022 1.737 . . . . 0.0 108.454 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.64 -0.12 10.3 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 114.975 -2.44 . . . . 0.0 113.255 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -44.16 -42.9 6.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 122.239 2.29 . . . . 0.0 110.37 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.93 -53.67 9.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.958 1.703 . . . . 0.0 114.454 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' CD2' ' HD2' ' A' ' 52' ' ' ARG . 2.7 mp -90.71 -23.81 20.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 128.005 2.522 . . . . 0.0 113.628 -171.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -10.82 47.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.469 -0.776 . . . . 0.0 110.936 172.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -22.5 61.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.806 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.8 m-85 -63.58 161.03 15.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 123.758 0.823 . . . . 0.0 109.604 -171.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -72.22 161.2 31.19 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.667 -1.27 . . . . 0.0 109.477 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.721 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.1 -19.93 65.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 121.796 2.089 . . . . 0.0 113.783 -170.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.95 -44.74 25.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.765 0.826 . . . . 0.0 112.3 164.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.37 -33.77 76.27 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 119.688 1.131 . . . . 0.0 110.63 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 11' ' ' ASP . 30.6 mt -61.82 -66.26 0.56 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.505 2.722 . . . . 0.0 106.029 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -53.96 -48.71 70.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 119.226 0.921 . . . . 0.0 109.358 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.35 -2.0 23.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.419 1.009 . . . . 0.0 112.188 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.89 -54.05 3.32 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.822 1.649 . . . . 0.0 107.479 172.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -71.17 -40.85 71.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.13 -171.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -64.43 -35.33 80.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.874 1.27 . . . . 0.0 110.639 174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.69 -50.02 54.27 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 53' ' ' ILE . 10.5 mmmt -59.49 -52.93 63.47 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.964 0.906 . . . . 0.0 108.6 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -46.6 -48.23 19.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 115.509 -2.186 . . . . 0.0 112.521 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -67.53 -50.35 59.07 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 121.939 2.154 . . . . 0.0 109.957 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -52.82 10.93 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 125.441 1.496 . . . . 0.0 110.13 -172.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.96 -47.21 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.128 1.331 . . . . 0.0 112.2 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.1 mtt -66.56 -26.85 67.32 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.14 -37.44 14.2 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.264 1.031 . . . . 0.0 109.676 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 37' ' ' LEU . 98.2 mt -59.82 -51.08 71.26 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 125.47 1.508 . . . . 0.0 109.158 171.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.7 ptt85 -60.31 -28.3 68.0 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.937 -1.102 . . . . 0.0 111.519 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -71.32 -26.89 63.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 111.033 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -73.9 -33.8 64.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.739 1.608 . . . . 0.0 108.651 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.42 -51.59 59.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.073 0.851 . . . . 0.0 110.292 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.33 21.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.306 1.842 . . . . 0.0 110.424 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mmt -81.33 -17.99 47.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.22 30.67 11.95 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 126.288 1.899 . . . . 0.0 112.985 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -121.24 -22.17 6.14 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.566 0.746 . . . . 0.0 110.101 -167.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD11 HG12 ' A' ' 43' ' ' ILE . 6.0 tt -62.68 120.59 11.49 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 124.635 1.174 . . . . 0.0 110.782 175.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -71.92 75.94 0.9 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.665 1.586 . . . . 0.0 109.977 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.52 124.09 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.227 3.011 . . . . 0.0 115.182 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.1 p -49.08 -16.97 0.17 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.181 2.592 . . . . 0.0 117.134 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 m -51.65 -38.45 54.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 120.839 1.654 . . . . 0.0 110.731 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.8 -50.43 73.3 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.015 0.926 . . . . 0.0 109.796 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.39 -49.6 79.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-O 117.256 -1.354 . . . . 0.0 109.888 178.485 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -45.67 62.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.968 1.713 . . . . 0.0 110.881 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.73 -13.94 58.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 O-C-N 121.403 -0.811 . . . . 0.0 110.35 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 50' ' ' ILE . 35.2 m -87.44 -55.49 3.77 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.758 1.623 . . . . 0.0 106.935 172.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -45.39 -45.78 12.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 128.366 2.666 . . . . 0.0 112.43 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -50.1 -54.14 22.52 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.09 0.859 . . . . 0.0 111.344 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.16 -27.03 56.82 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 126.019 1.728 . . . . 0.0 109.465 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 46' ' ' THR . 1.4 mp -66.59 -55.7 17.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 121.905 2.139 . . . . 0.0 106.796 173.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 0.76 5.63 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.29 -0.881 . . . . 0.0 112.113 -173.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.539 ' HD2' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -99.33 -60.11 1.59 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.603 3.161 . . . . 0.0 110.083 171.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 18' ' ' LEU . 68.7 mt -64.95 -52.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 127.801 2.44 . . . . 0.0 110.778 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -33.47 69.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.788 -1.195 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.5 m -66.68 -36.43 82.51 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.58 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.454 HG13 HD23 ' A' ' 6' ' ' LEU . 2.9 mm -51.93 -44.76 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.804 2.093 . . . . 0.0 110.76 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.29 -51.45 69.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.727 0.811 . . . . 0.0 109.906 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -50.31 45.72 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 0.0 110.717 175.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.64 -29.12 70.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.081 1.353 . . . . 0.0 110.071 -173.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -83.47 -20.93 33.11 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 121.315 -0.866 . . . . 0.0 112.884 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.27 -58.68 5.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.8 -13.06 56.94 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.974 0.806 . . . . 0.0 111.61 -174.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.97 51.27 7.08 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.5 mm -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 109.062 152.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -139.47 75.63 1.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 102.742 -3.058 . . . . 0.0 102.742 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 C--O 1.249 1.041 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 157.1 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -155.91 173.7 16.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 119.061 0.846 . . . . 0.0 110.044 162.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . -121.94 -86.1 0.65 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.341 1.456 . . . . 0.0 109.011 172.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.3 m 57.68 -60.34 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 127.563 2.345 . . . . 0.0 110.669 -147.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.3 -52.83 63.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.158 2.183 . . . . 0.0 109.604 -174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.64 -15.12 60.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 119.794 -1.816 . . . . 0.0 113.835 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -7.68 47.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 119.536 1.062 . . . . 0.0 112.283 170.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.24 -10.99 59.97 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.376 1.87 . . . . 0.0 112.906 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.804 ' HB2' HD13 ' A' ' 14' ' ' LEU . 48.5 m-85 -81.15 165.65 21.36 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -174.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.415 ' C ' HD22 ' A' ' 14' ' ' LEU . 49.4 p -70.83 152.99 43.15 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -43.58 -29.77 0.52 Allowed 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 128.169 2.588 . . . . 0.0 113.343 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.93 -51.89 9.02 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.866 0.729 . . . . 0.0 111.112 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.0 -35.87 73.96 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 123.083 0.553 . . . . 0.0 111.392 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -54.74 -69.23 0.13 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -43.64 72.54 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.463 -2.208 . . . . 0.0 109.837 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -64.62 -15.33 61.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 120.304 1.411 . . . . 0.0 112.745 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 -43.87 7.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.38 -30.06 37.83 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.169 -0.957 . . . . 0.0 108.456 -172.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.81 -33.54 68.7 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.845 -0.597 . . . . 0.0 112.261 168.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 43.1 tt0 -66.82 -55.78 13.34 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.277 0.56 . . . . 0.0 110.113 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HG3' HD13 ' A' ' 53' ' ' ILE . 30.1 mmmt -59.66 -53.62 55.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 119.745 -1.847 . . . . 0.0 108.989 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -52.81 -39.11 62.12 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 120.699 1.591 . . . . 0.0 111.943 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 9.5 ptm85 -76.03 -40.34 53.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.768 1.622 . . . . 0.0 112.998 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -51.42 -53.07 40.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.563 1.545 . . . . 0.0 107.58 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.623 HD11 ' HD3' ' A' ' 47' ' ' LYS . 30.5 tp -53.99 -50.57 66.28 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.034 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.9 ttm -55.16 -28.71 54.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -42.13 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.485 1.114 . . . . 0.0 109.762 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 46' ' ' THR . 92.2 mt -68.58 -33.62 74.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 O-C-N 120.817 -1.177 . . . . 0.0 107.875 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 ptm85 -64.94 -28.19 69.36 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 120.787 -1.196 . . . . 0.0 111.399 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.53 -32.71 66.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.619 1.168 . . . . 0.0 110.928 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -71.8 -43.66 65.29 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 121.767 2.076 . . . . 0.0 106.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.2 tm? -55.5 -53.35 57.48 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.086 0.954 . . . . 0.0 110.697 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.271 1.029 . . . . 0.0 110.157 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.38 60.37 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.322 1.049 . . . . 0.0 112.53 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.72 6.85 24.55 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 129.699 3.523 . . . . 0.0 114.457 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -103.84 -28.15 11.79 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.014 1.407 . . . . 0.0 110.701 -151.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 119.27 9.2 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.517 1.527 . . . . 0.0 109.422 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 161.21 8.34 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.23 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -24.01 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.425 1 C-N-CA 132.744 4.418 . . . . 0.0 117.731 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . 0.347 1.5 p 23.61 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.761 3.224 . . . . 0.0 116.542 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.5 m -94.0 -34.82 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.483 -0.761 . . . . 0.0 109.892 163.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' CD2' HD13 ' A' ' 28' ' ' LEU . 7.4 tt -69.77 -46.38 65.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.779 0.718 . . . . 0.0 110.094 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -59.42 -46.49 92.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.205 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -42.79 92.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 120.07 1.305 . . . . 0.0 111.64 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.27 -48.26 80.69 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.751 2.82 . . . . 0.0 108.707 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 28' ' ' LEU . 31.6 m -57.6 -48.48 79.29 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD3' HD11 ' A' ' 25' ' ' LEU . 3.7 mmmm -52.96 -43.22 66.19 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.412 1.915 . . . . 0.0 112.098 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -58.94 -40.41 84.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' O ' HD12 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -83.43 -36.02 24.56 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.888 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.479 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -58.11 -57.55 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 120.182 1.356 . . . . 0.0 109.007 175.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.34 0.09 8.91 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 120.517 -1.364 . . . . 0.0 112.041 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -57.05 2.83 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.717 1.607 . . . . 0.0 110.259 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.753 HD13 ' HG3' ' A' ' 21' ' ' LYS . 3.8 mt -66.57 -44.79 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 119.829 -1.794 . . . . 0.0 112.01 -178.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -31.23 70.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 121.402 1.91 . . . . 0.0 109.866 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -60.79 -37.27 81.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.426 -1.273 . . . . 0.0 109.698 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 3' ' ' ALA . 5.6 mm -57.75 -41.46 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 120.638 1.563 . . . . 0.0 109.968 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -53.09 61.66 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -53.55 53.17 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 119.019 0.827 . . . . 0.0 112.178 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.61 -42.65 56.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.919 1.288 . . . . 0.0 109.313 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -66.26 -35.14 79.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.72 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.02 -43.56 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.494 1.118 . . . . 0.0 110.156 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -19.83 24.17 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.124 0.875 . . . . 0.0 113.177 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 4.49 26.8 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.792 1.186 . . . . 0.0 115.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.0 mm -63.52 -19.96 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 126.93 2.092 . . . . 0.0 112.944 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.45 22.87 6.99 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 123.681 0.792 . . . . 0.0 112.689 -164.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 N--CA 1.433 -1.324 0 O-C-N 125.284 1.615 . . . . 0.0 109.602 168.715 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.93 -31.33 1.72 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.7 -90.62 0.57 Allowed 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.611 0.765 . . . . 0.0 109.286 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.9 m 57.96 -13.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 128.609 2.764 . . . . 0.0 116.341 -173.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.21 -46.92 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.768 1.627 . . . . 0.0 107.731 166.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.28 -6.34 57.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -12.07 27.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.138 0.975 . . . . 0.0 112.592 161.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -95.47 -24.23 16.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.173 1.389 . . . . 0.0 113.142 -155.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 14' ' ' LEU . 56.6 m-85 -57.67 167.15 1.15 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 118.716 0.689 . . . . 0.0 110.853 165.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.82 163.33 28.29 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.617 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.549 ' HA ' HD12 ' A' ' 14' ' ' LEU . 32.5 m-20 -53.23 -36.44 61.04 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.749 1.159 . . . . 0.0 112.109 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -62.04 -63.14 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.819 1.248 . . . . 0.0 110.984 168.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.06 -14.72 61.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 112.733 -172.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 11' ' ' ASP . 16.5 mt -70.24 -73.46 0.16 Allowed 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 166.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.35 66.15 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 120.115 1.325 . . . . 0.0 111.029 -174.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.13 -10.38 49.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 119.388 0.995 . . . . 0.0 113.38 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -45.96 4.77 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 1.6 mt -69.01 -32.39 71.89 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -172.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.5 -35.49 77.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.271 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -62.96 -48.8 77.33 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.438 0.695 . . . . 0.0 109.379 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.0 mmmt -59.36 -57.59 12.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 174.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.27 -42.82 31.8 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.399 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -69.24 -50.62 45.47 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.327 1.421 . . . . 0.0 109.864 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.35 -51.58 10.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.286 1.834 . . . . 0.0 110.21 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 tp -53.49 -53.43 51.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.335 0.516 . . . . 0.0 111.509 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.9 mtm -66.26 -22.11 66.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.668 0.787 . . . . 0.0 112.243 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.52 -44.09 9.29 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.763 2.025 . . . . 0.0 112.866 -174.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.64 -59.34 4.58 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 126.623 1.969 . . . . 0.0 108.534 166.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -59.42 -25.44 64.33 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.081 -1.012 . . . . 0.0 111.93 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -71.18 -30.99 67.1 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.926 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -78.44 -32.64 48.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 120.294 1.406 . . . . 0.0 108.837 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -58.65 -56.82 17.27 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.61 -27.9 68.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.249 1.42 . . . . 0.0 112.334 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.27 -9.9 58.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.664 0.786 . . . . 0.0 112.708 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.14 10.12 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 127.345 2.402 . . . . 0.0 109.992 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -130.11 -21.04 3.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.646 1.578 . . . . 0.0 110.537 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.51 131.83 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.735 1.614 . . . . 0.0 108.149 167.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -140.55 54.59 1.6 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.296 1.438 . . . . 0.0 111.529 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -136.5 -72.44 0.45 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.631 0.772 . . . . 0.0 109.265 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m 70.94 -20.16 0.22 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 128.695 2.798 . . . . 0.0 114.343 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -35.17 79.8 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.232 -1.543 . . . . 0.0 109.859 167.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.68 83.37 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.706 170.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.87 -45.0 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.605 2.002 . . . . 0.0 110.519 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -44.64 61.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 121.469 1.94 . . . . 0.0 111.193 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -80.8 -31.2 35.76 Favored 'General case' 0 N--CA 1.422 -1.871 0 C-N-CA 127.813 2.445 . . . . 0.0 109.822 -172.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.606 HG22 HD13 ' A' ' 50' ' ' ILE . 21.3 m -65.78 -53.08 45.25 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 167.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -52.54 -45.15 66.22 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 126.915 2.086 . . . . 0.0 112.679 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.05 -42.5 94.63 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.989 1.268 . . . . 0.0 110.21 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -70.98 -39.83 72.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -60.51 -55.21 25.92 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.2 -8.69 25.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 119.679 1.127 . . . . 0.0 112.399 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -60.72 1.9 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.374 1.869 . . . . 0.0 109.948 167.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 4.9 mt -61.73 -54.31 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 127.53 2.332 . . . . 0.0 111.917 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -33.84 72.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 120.262 -1.524 . . . . 0.0 110.642 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -59.12 -51.36 70.36 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 116.237 -1.84 . . . . 0.0 108.175 173.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mm -46.21 -50.23 4.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-N 119.928 1.24 . . . . 0.0 110.253 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.67 -60.52 2.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 122.426 1.108 . . . . 0.0 110.545 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 -50.45 61.12 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.635 1.574 . . . . 0.0 112.364 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.86 61.19 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 128.241 2.616 . . . . 0.0 108.163 -172.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -99.9 -21.45 15.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.584 1.154 . . . . 0.0 111.598 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.29 -56.73 17.19 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 166.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -74.21 -14.58 60.96 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.419 1.009 . . . . 0.0 111.5 -178.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.4 27.73 56.96 Favored Glycine 0 N--CA 1.447 -0.598 0 O-C-N 121.763 -0.586 . . . . 0.0 113.674 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.52 -40.66 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 118.844 1.322 . . . . 0.0 109.175 172.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -116.61 21.01 13.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.437 1.895 . . . . 0.0 111.443 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.247 0.932 0 C-N-CA 126.786 2.035 . . . . 0.0 112.284 -174.124 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptt? . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -152.42 162.99 40.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.418 1.008 . . . . 0.0 109.233 170.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.81 -81.37 0.64 Allowed 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 126.551 1.94 . . . . 0.0 106.138 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 60.89 -52.66 0.1 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 130.196 3.399 . . . . 0.0 110.831 -162.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.64 -52.35 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 124.076 0.95 . . . . 0.0 109.388 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.8 -10.31 59.59 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.082 -1.636 . . . . 0.0 113.768 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -4.48 24.48 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.873 0.869 . . . . 0.0 113.152 171.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -23.45 37.16 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.598 1.159 . . . . 0.0 113.031 -176.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 14' ' ' LEU . 81.5 m-85 -64.2 167.58 6.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.663 1.185 . . . . 0.0 111.537 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -77.22 164.14 25.88 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.723 173.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.495 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -53.97 -41.48 67.91 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.883 1.674 . . . . 0.0 111.758 -176.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -43.39 82.7 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 122.841 0.457 . . . . 0.0 111.966 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -67.54 -38.62 84.45 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 119.126 0.876 . . . . 0.0 110.327 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 11' ' ' ASP . 20.8 mt -67.21 -14.18 62.67 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 117.137 -1.411 . . . . 0.0 114.039 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.27 -45.67 5.27 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 126.335 1.854 . . . . 0.0 109.279 164.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.13 -14.35 9.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 120.806 1.639 . . . . 0.0 112.301 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.27 -57.34 3.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 123.479 1.609 . . . . 0.0 108.598 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.34 -34.35 63.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 112.804 -1.998 . . . . 0.0 111.158 -165.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.56 -30.35 71.08 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.699 1.2 . . . . 0.0 109.488 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -75.97 -52.29 10.57 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -56.34 -56.35 22.15 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.857 -1.152 . . . . 0.0 108.136 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -47.29 -44.57 23.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 116.462 -1.732 . . . . 0.0 113.332 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -67.46 -54.96 15.69 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 120.987 1.721 . . . . 0.0 109.806 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -45.08 -51.99 9.58 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 126.479 1.912 . . . . 0.0 110.341 -173.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.64 -48.06 66.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.697 1.135 . . . . 0.0 111.925 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ttt -66.5 -28.55 68.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.627 1.171 . . . . 0.0 112.241 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.52 -31.87 17.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.559 1.072 . . . . 0.0 110.451 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.26 -44.01 63.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.682 1.193 . . . . 0.0 108.794 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -56.72 -28.42 60.98 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.302 -1.499 . . . . 0.0 111.695 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -25.06 50.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.05 1.74 . . . . 0.0 110.049 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -77.61 -38.83 47.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.17 -49.52 73.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.929 0.892 . . . . 0.0 110.395 176.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.29 -14.24 6.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.198 1.799 . . . . 0.0 112.651 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.61 -8.63 18.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.623 1.169 . . . . 0.0 112.966 172.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 48.44 19.64 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 128.75 3.071 . . . . 0.0 110.206 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -121.55 -37.69 2.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.444 1.098 . . . . 0.0 109.836 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.97 -41.84 99.66 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.709 0.804 . . . . 0.0 111.434 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 tttp 55.09 86.32 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.514 1.526 . . . . 0.0 111.76 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' ND2' ' H ' ' A' ' 41' ' ' SER . 58.4 t30 96.56 159.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 131.014 3.726 . . . . 0.0 111.75 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.4 p -121.09 3.36 10.44 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' H ' ' ND2' ' A' ' 39' ' ' ASN . 14.9 m -57.04 -38.56 73.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 120.112 1.324 . . . . 0.0 110.04 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -69.7 -43.09 73.15 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.643 176.145 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -41.79 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 120.959 1.709 . . . . 0.0 110.287 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -58.47 -45.21 89.1 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.755 1.161 . . . . 0.0 110.275 175.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD13 ' HD3' ' A' ' 48' ' ' ARG . 2.1 mm? -69.09 -28.55 66.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 120.416 -1.427 . . . . 0.0 110.415 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 50' ' ' ILE . 18.4 m -70.92 -55.72 7.78 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -46.91 -48.3 21.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 127.783 2.433 . . . . 0.0 112.389 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 11.2 ptt85 -60.42 -45.64 92.87 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.618 1.099 . . . . 0.0 109.876 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -39.29 74.82 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -56.23 -53.37 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.043 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.19 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 118.706 0.685 . . . . 0.0 112.36 -172.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -62.26 1.5 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 109.369 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 mp -50.99 -59.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.9 1.68 . . . . 0.0 113.369 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -21.61 60.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 120.293 -1.505 . . . . 0.0 112.295 -178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -83.09 -29.8 28.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.429 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -50.15 -45.41 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 122.526 2.421 . . . . 0.0 110.765 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 18' ' ' LEU . 5.1 tt -66.76 -46.63 74.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.813 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.74 -47.71 63.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.684 1.129 . . . . 0.0 111.7 176.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.0 -32.52 64.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.795 1.238 . . . . 0.0 111.29 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.55 -34.39 60.73 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.394 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -55.49 -46.97 76.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.206 1.002 . . . . 0.0 109.181 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -96.3 0.22 50.53 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.68 30.43 64.02 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.198 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.42 -18.27 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.509 1.524 . . . . 0.0 110.943 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -132.91 68.62 1.5 Allowed 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 . . . . . 0 C--O 1.251 1.16 0 N-CA-C 104.622 -2.362 . . . . 0.0 104.622 158.011 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtp . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -86.22 160.72 19.1 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.826 0.851 . . . . 0.0 110.519 -173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.12 -86.23 0.65 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.96 1.304 . . . . 0.0 108.28 164.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 m 62.55 -57.14 0.14 Allowed 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 129.207 3.003 . . . . 0.0 109.661 -154.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -56.07 -61.42 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 128.254 2.621 . . . . 0.0 110.497 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.92 -16.65 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 126.148 1.779 . . . . 0.0 112.217 -175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.32 54.59 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.922 0.489 . . . . 0.0 110.413 169.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.02 -4.3 40.5 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.733 -167.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.345 63.0 m-85 -77.21 161.13 28.41 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 120.555 1.525 . . . . 0.0 108.453 -178.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.401 ' C ' HD22 ' A' ' 14' ' ' LEU . 73.4 p -80.03 150.41 30.38 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 172.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -36.27 -45.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 129.04 2.936 . . . . 0.0 110.261 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.12 -37.13 75.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.04 -44.18 69.73 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.498 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -49.74 -60.36 2.96 Favored 'General case' 0 C--N 1.342 0.249 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -174.088 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -58.34 6.52 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.69 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.56 -15.22 57.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -170.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -96.49 -51.7 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -76.33 -29.23 57.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.712 0.805 . . . . 0.0 109.063 -169.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.06 -29.33 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.404 1.082 . . . . 0.0 111.748 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -70.13 -51.7 29.44 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.151 0.98 . . . . 0.0 109.535 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -53.89 -61.48 2.28 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 173.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -47.46 -44.98 25.5 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.475 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -64.17 -55.4 22.07 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 120.258 1.39 . . . . 0.0 110.569 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.86 -49.64 19.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.72 1.208 . . . . 0.0 110.573 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.09 -52.67 41.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.179 1.354 . . . . 0.0 111.582 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.7 tpt -65.0 -25.25 67.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.481 1.112 . . . . 0.0 112.236 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.29 -40.0 12.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.215 1.007 . . . . 0.0 109.761 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 HG21 ' A' ' 46' ' ' THR . 96.7 mt -63.88 -41.46 97.73 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.149 -1.594 . . . . 0.0 109.277 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -61.61 -31.58 71.66 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.705 -1.247 . . . . 0.0 110.237 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.0 -32.66 73.21 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.358 -1.306 . . . . 0.0 111.088 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -74.03 -39.72 63.37 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 121.742 2.065 . . . . 0.0 107.52 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.11 -51.1 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.559 0.744 . . . . 0.0 110.277 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.36 -23.14 66.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.265 1.026 . . . . 0.0 111.839 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.7 mtp -81.52 -18.37 45.27 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 120.039 1.29 . . . . 0.0 112.386 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.33 42.83 4.8 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.181 1.848 . . . . 0.0 111.121 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -129.61 -29.73 2.14 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.144 1.472 . . . . 0.0 112.113 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 119.21 5.87 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.1 1.36 . . . . 0.0 110.609 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -55.23 -59.62 4.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.891 0.768 . . . . 0.0 112.019 -176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.4 122.53 11.46 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.719 0.69 . . . . 0.0 111.428 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.7 p -64.5 -12.99 49.91 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.05 -22.5 65.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.861 1.664 . . . . 0.0 111.597 171.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.7 -57.25 12.69 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 116.643 -1.646 . . . . 0.0 108.437 160.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -43.27 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 121.826 2.103 . . . . 0.0 110.763 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.24 -50.56 70.95 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.494 1.043 . . . . 0.0 110.008 176.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.74 -38.11 89.87 Favored 'General case' 0 N--CA 1.415 -2.202 0 C-N-CA 126.419 1.888 . . . . 0.0 108.286 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.564 HG22 HD13 ' A' ' 50' ' ' ILE . 5.8 m -65.16 -52.33 55.7 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -51.06 -44.16 61.1 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.881 2.073 . . . . 0.0 113.034 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD2' ' HE2' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -58.46 -49.45 77.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.784 1.174 . . . . 0.0 108.02 -179.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.54 -42.86 82.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.564 HD13 HG22 ' A' ' 46' ' ' THR . 1.1 mp -57.32 -53.16 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.116 0 CA-C-N 120.101 1.319 . . . . 0.0 108.187 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -13.97 62.64 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.772 -174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -61.5 1.79 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.08 1.752 . . . . 0.0 109.104 172.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 mp -55.27 -56.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 127.043 2.137 . . . . 0.0 111.746 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.43 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 120.348 -1.47 . . . . 0.0 110.832 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.3 m -68.21 -40.32 82.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 116.389 -1.767 . . . . 0.0 110.591 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mm -50.25 -49.1 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 122.09 2.223 . . . . 0.0 109.586 174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.08 -54.26 45.38 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -47.45 30.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.675 1.19 . . . . 0.0 111.388 176.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.25 -13.35 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.915 1.286 . . . . 0.0 112.666 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -96.1 -19.97 19.0 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.691 1.196 . . . . 0.0 112.145 170.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.05 -67.06 0.46 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.64 169.28 17.85 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.364 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.1 23.63 1.39 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.865 -0.964 . . . . 0.0 114.104 -173.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -63.17 -24.3 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 119.918 1.859 . . . . 0.0 110.566 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -134.29 14.47 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.191 1.396 . . . . 0.0 112.384 174.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 127.384 2.274 . . . . 0.0 113.549 -169.309 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -151.01 171.67 16.92 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.661 -0.649 . . . . 0.0 109.762 170.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 3.82 24.07 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 130.249 3.42 . . . . 0.0 111.595 168.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.31 0.63 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.577 1.535 . . . . 0.0 112.805 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.5 -44.99 16.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.651 2.38 . . . . 0.0 113.976 171.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 12.6 mt -80.96 -37.22 29.77 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 126.229 1.811 . . . . 0.0 111.234 -171.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -11.77 53.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.619 1.099 . . . . 0.0 110.847 174.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.04 0.64 56.51 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.668 1.587 . . . . 0.0 113.269 -162.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.808 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.432 29.3 m-85 -76.62 179.5 5.95 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 119.852 1.206 . . . . 0.0 110.849 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -86.59 147.0 26.12 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.769 2.077 . . . . 0.0 107.36 165.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -47.84 -31.39 4.96 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 122.891 2.587 . . . . 0.0 111.823 -177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -68.53 -47.86 65.82 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 113.58 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.82 -43.1 99.52 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.242 0.928 . . . . 0.0 110.486 170.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -54.37 -57.24 12.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -173.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.33 83.09 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.303 -1.332 . . . . 0.0 110.291 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -15.05 62.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 121.261 1.846 . . . . 0.0 112.626 -174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -95.33 -57.32 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 128.492 2.717 . . . . 0.0 106.723 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -67.95 -38.01 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -37.59 86.63 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.233 172.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -67.04 -50.27 62.53 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.646 1.179 . . . . 0.0 109.491 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -63.9 -54.08 40.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.698 -1.594 . . . . 0.0 106.698 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -45.95 -51.83 12.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.358 -1.306 . . . . 0.0 112.39 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.29 -52.16 59.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.316 1.416 . . . . 0.0 109.939 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -47.74 -50.4 25.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.267 1.027 . . . . 0.0 109.73 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.78 -50.51 55.86 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.174 1.352 . . . . 0.0 111.989 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mmt -62.27 -27.86 69.31 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -94.21 -25.67 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.511 1.148 . . . . 0.0 111.096 -174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 46' ' ' THR . 94.2 mt -70.0 -45.1 67.99 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.437 1.495 . . . . 0.0 109.151 168.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -61.56 -26.29 67.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.354 -1.466 . . . . 0.0 111.39 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.55 -46.17 89.58 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.988 0.915 . . . . 0.0 110.409 169.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.22 -40.53 90.35 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.529 1.513 . . . . 0.0 108.038 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.1 tm? -58.3 -54.04 51.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.091 0.956 . . . . 0.0 110.329 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.7 69.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.815 0.846 . . . . 0.0 112.285 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 mtt -67.7 -41.45 83.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.62 0.646 . . . . 0.0 110.857 167.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.66 43.88 0.57 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 125.813 1.673 . . . . 0.0 112.438 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -124.07 -26.04 4.09 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.769 1.284 . . . . 0.0 111.313 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.83 94.39 2.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.094 -1.004 . . . . 0.0 111.634 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -38.8 105.81 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.068 1.747 . . . . 0.0 111.732 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 t30 40.76 33.69 0.22 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.723 2.809 . . . . 0.0 114.814 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p 47.56 21.18 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -170.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -57.15 -41.92 80.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 120.738 -1.226 . . . . 0.0 111.581 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -47.83 29.47 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.283 -0.865 . . . . 0.0 109.881 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.37 -45.0 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.204 0.911 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.28 46.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.754 1.161 . . . . 0.0 111.201 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -13.04 61.92 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.559 1.144 . . . . 0.0 111.395 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.673 HG22 HD13 ' A' ' 50' ' ' ILE . 62.1 m -93.49 -52.91 4.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -49.63 -41.41 42.34 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.198 1.799 . . . . 0.0 112.32 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -51.75 -57.3 9.66 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.703 0.627 . . . . 0.0 110.77 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.22 -29.06 66.92 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.199 1.8 . . . . 0.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.673 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -70.0 -53.54 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.972 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.96 -9.87 48.86 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.762 1.164 . . . . 0.0 112.439 -173.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 6' ' ' LEU 0.28 0.4 OUTLIER -85.56 -63.13 1.38 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 130.902 3.681 . . . . 0.0 109.39 173.378 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.628 HG22 ' HA ' ' A' ' 18' ' ' LEU . 95.0 mt -66.98 -51.15 57.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 127.898 2.479 . . . . 0.0 109.954 -178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.08 69.42 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 120.136 -1.603 . . . . 0.0 109.669 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.5 m -67.89 -33.28 74.42 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 116.76 -1.59 . . . . 0.0 111.276 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.0 -37.0 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 122.065 2.211 . . . . 0.0 111.254 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.12 -59.36 4.87 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 168.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -48.19 70.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.772 0.829 . . . . 0.0 112.289 -176.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.09 -14.65 4.09 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.45 2.3 . . . . 0.0 111.486 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -104.6 -16.81 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 120.097 -1.627 . . . . 0.0 112.905 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -62.74 -46.85 86.14 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.904 0.774 . . . . 0.0 109.012 170.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -86.15 -21.19 27.69 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.862 -1.149 . . . . 0.0 112.612 175.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.05 58.91 3.83 Favored Glycine 0 CA--C 1.521 0.447 0 O-C-N 120.648 -1.282 . . . . 0.0 111.732 -168.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mm -86.44 -14.87 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.586 1.954 . . . . 0.0 110.021 157.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -133.24 55.06 1.92 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 120.17 -1.582 . . . . 0.0 107.001 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.437 1.495 . . . . 0.0 107.855 171.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtp . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 119.011 -0.519 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 mttm 62.97 130.12 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.679 2.392 . . . . 0.0 113.81 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.49 -82.1 0.65 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.311 1.445 . . . . 0.0 109.509 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.74 -21.59 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.999 3.72 . . . . 0.0 116.184 -159.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.575 ' CG ' HD22 ' A' ' 6' ' ' LEU . 5.7 pt-20 -90.85 -58.99 2.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 120.099 1.318 . . . . 0.0 108.15 162.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.695 HD21 HG13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -80.96 -2.86 49.53 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -164.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -8.66 25.46 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 118.946 -2.346 . . . . 0.0 111.296 169.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.49 -32.71 42.53 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.647 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 14' ' ' LEU 0.341 83.4 m-85 -82.3 176.96 9.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.246 -169.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.419 ' O ' HD22 ' A' ' 14' ' ' LEU . 41.0 p -80.56 146.22 31.38 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.38 -32.21 0.07 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 128.422 2.689 . . . . 0.0 111.982 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.98 -50.51 19.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.609 3.164 . . . . 0.0 115.393 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.953 -1.092 . . . . 0.0 110.782 168.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.53 -60.62 3.1 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -42.93 62.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 120.326 1.421 . . . . 0.0 109.837 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -71.72 -2.09 16.2 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.59 -40.38 5.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 127.282 2.233 . . . . 0.0 110.073 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -82.62 -32.19 28.47 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.624 -1.297 . . . . 0.0 109.117 -167.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.92 80.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.03 1.332 . . . . 0.0 109.801 164.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.99 -51.04 66.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.899 1.28 . . . . 0.0 109.646 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -58.19 -56.3 23.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 119.749 -1.844 . . . . 0.0 108.161 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -55.61 -34.77 65.18 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.839 -1.163 . . . . 0.0 112.126 -174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -73.32 -51.36 17.78 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 120.962 1.71 . . . . 0.0 110.98 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.96 -44.24 40.56 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.021 1.728 . . . . 0.0 111.118 -174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 47' ' ' LYS . 19.9 tp -51.63 -54.31 29.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.469 1.031 . . . . 0.0 110.955 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.4 mtt -65.64 -23.97 66.93 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.41 -40.54 13.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.137 1.375 . . . . 0.0 108.853 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.63 -51.62 61.69 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ptt85 -56.65 -33.86 66.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.929 -1.107 . . . . 0.0 111.641 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.47 -28.99 69.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.071 1.348 . . . . 0.0 110.752 175.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -78.24 -30.13 48.52 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.26 -1.525 . . . . 0.0 109.127 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HB2' HD13 ' A' ' 37' ' ' LEU . 2.1 tm? -65.39 -52.88 50.51 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 119.954 1.252 . . . . 0.0 110.211 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.35 -43.38 16.02 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.703 1.601 . . . . 0.0 109.566 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -16.26 54.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.63 30.58 9.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 127.177 2.322 . . . . 0.0 112.731 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -121.35 -20.85 6.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.884 0.874 . . . . 0.0 110.071 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 32' ' ' LEU . 7.0 tt -61.84 124.13 19.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.875 1.67 . . . . 0.0 110.695 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -101.39 84.99 2.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.286 1.035 . . . . 0.0 111.184 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 91.09 112.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 128.981 2.913 . . . . 0.0 111.151 173.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.8 p -71.59 -7.86 50.37 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.2 m -60.2 -24.17 64.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.631 1.105 . . . . 0.0 111.907 174.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.96 -49.08 16.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -43.32 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 120.68 1.582 . . . . 0.0 110.789 -173.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -33.01 74.79 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 124.37 1.068 . . . . 0.0 112.491 -173.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . 0.255 1.9 tp -71.61 -42.38 67.75 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 128.945 2.898 . . . . 0.0 107.135 169.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.699 HG22 ' CD1' ' A' ' 50' ' ' ILE . 1.7 m -54.78 -54.97 35.13 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 119.834 1.197 . . . . 0.0 109.248 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 25' ' ' LEU 0.349 0.0 OUTLIER -52.05 -42.11 62.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 119.436 -2.04 . . . . 0.0 115.74 175.716 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -48.95 78.11 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.482 1.492 . . . . 0.0 108.78 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.97 -41.79 61.43 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 117.26 -1.353 . . . . 0.0 107.869 -173.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.699 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.1 mp -46.46 -50.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-N 120.521 1.51 . . . . 0.0 108.739 168.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.73 85.13 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -59.68 4.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.365 0.984 . . . . 0.0 112.159 173.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.695 HG13 HD21 ' A' ' 6' ' ' LEU . 1.4 mp -48.6 -64.11 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.504 0 C-N-CA 127.349 2.26 . . . . 0.0 111.919 172.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -29.64 70.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.761 -1.212 . . . . 0.0 109.532 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -64.28 -39.83 94.72 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 116.267 -1.825 . . . . 0.0 110.498 170.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG21 ' HB3' ' A' ' 6' ' ' LEU . 2.0 mm -51.83 -48.43 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 122.887 2.585 . . . . 0.0 109.847 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tp -55.94 -57.42 12.18 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -57.48 4.09 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.547 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -39.24 43.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.748 1.619 . . . . 0.0 109.651 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -80.15 -11.99 59.7 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.0 1.32 . . . . 0.0 114.534 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.14 -48.92 71.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.11 -36.32 14.06 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.574 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.57 25.27 3.19 Favored Glycine 0 C--N 1.341 0.85 0 CA-C-N 119.129 0.877 . . . . 0.0 115.038 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.07 -19.76 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 124.824 1.25 . . . . 0.0 111.226 171.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -130.57 83.13 2.1 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 103.514 -2.773 . . . . 0.0 103.514 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 . . . . . 0 C--O 1.251 1.134 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 157.056 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.961 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 tptt 65.21 -62.98 0.2 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.962 2.505 . . . . 0.0 111.592 -169.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -120.84 -71.74 0.72 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.634 1.974 . . . . 0.0 107.156 173.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t 58.8 -70.19 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.758 2.423 . . . . 0.0 107.812 -148.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.75 -48.41 79.31 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 126.688 1.995 . . . . 0.0 109.741 -164.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 42.0 mt -82.22 -14.35 55.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 119.936 -1.728 . . . . 0.0 113.127 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -9.2 58.7 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.543 1.137 . . . . 0.0 109.985 167.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -87.99 -19.04 27.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 118.455 -0.783 . . . . 0.0 113.045 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.563 ' HB2' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -68.76 163.75 23.35 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 124.164 0.986 . . . . 0.0 109.797 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 44.3 p -82.02 167.59 18.69 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 110.845 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -50.42 -41.29 52.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.634 1.106 . . . . 0.0 111.506 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.66 -46.17 55.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.03 1.332 . . . . 0.0 113.091 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 10' ' ' THR . 2.1 mm-40 -66.5 -38.37 87.1 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 121.049 -1.032 . . . . 0.0 110.484 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 9' ' ' TYR . 19.5 mt -56.31 -66.2 0.47 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.066 2.147 . . . . 0.0 107.122 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -49.93 -51.17 43.1 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.997 1.272 . . . . 0.0 109.677 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -68.19 -11.12 58.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -46.89 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 126.105 1.762 . . . . 0.0 108.498 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -78.76 -35.69 44.16 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.865 0.866 . . . . 0.0 110.127 -170.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -37.21 73.95 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.85 1.26 . . . . 0.0 109.059 169.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.31 -51.82 58.11 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 123.916 0.886 . . . . 0.0 109.174 -177.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HG3' HD13 ' A' ' 53' ' ' ILE . 29.2 mmmt -54.96 -58.98 5.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.25 -1.531 . . . . 0.0 107.91 173.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.69 -50.37 13.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 116.456 -1.735 . . . . 0.0 112.375 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.92 -57.68 9.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 117.101 -1.428 . . . . 0.0 109.09 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -46.28 -43.95 16.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 126.171 1.788 . . . . 0.0 111.717 -170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD21 ' HD3' ' A' ' 47' ' ' LYS . 1.3 tm? -54.08 -54.57 37.58 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.993 1.27 . . . . 0.0 110.884 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.7 mtp -62.58 -17.4 60.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.276 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -18.8 13.67 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.518 1.127 . . . . 0.0 111.195 -173.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 46' ' ' THR . 2.0 mp -75.34 -51.78 12.37 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.916 1.686 . . . . 0.0 107.076 167.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -57.52 -30.56 65.25 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.876 -0.515 . . . . 0.0 110.672 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.43 -39.1 93.58 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.469 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.72 -25.34 49.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 119.985 1.266 . . . . 0.0 107.651 -176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.58 -53.57 22.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.209 0.913 . . . . 0.0 109.411 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -36.33 38.72 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 111.164 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.02 -23.87 52.14 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.696 0.798 . . . . 0.0 112.455 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.16 48.7 3.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 127.211 2.339 . . . . 0.0 110.388 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.51 -54.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.274 1.029 . . . . 0.0 108.771 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.73 116.26 3.94 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 170.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -122.12 39.55 3.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.318 1.047 . . . . 0.0 109.536 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -143.45 101.05 3.72 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 120.815 -1.178 . . . . 0.0 110.302 153.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -62.31 -25.14 67.71 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.479 -0.763 . . . . 0.0 112.653 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -78.36 -18.48 55.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.349 -0.844 . . . . 0.0 112.65 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.11 -51.38 61.65 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 162.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -46.41 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.46 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -47.96 70.21 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 120.238 1.381 . . . . 0.0 111.954 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.04 -29.23 62.83 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 50' ' ' ILE . 2.3 m -67.12 -52.04 46.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.605 ' HD3' HD21 ' A' ' 25' ' ' LEU . 6.5 mmmt -52.34 -45.3 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 119.889 -1.757 . . . . 0.0 113.875 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -57.37 -47.77 80.77 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.686 1.195 . . . . 0.0 107.969 -174.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.602 ' CD1' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -58.24 -48.18 85.45 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 O-C-N 120.521 -1.362 . . . . 0.0 107.748 177.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.86 95.08 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-O 117.25 -1.357 . . . . 0.0 109.234 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HD2' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -58.22 -61.68 2.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 120.132 1.333 . . . . 0.0 113.441 175.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.9 mt -53.77 -59.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 127.601 2.36 . . . . 0.0 111.801 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.13 71.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.368 -1.458 . . . . 0.0 109.784 -175.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -62.34 -39.37 92.86 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.435 168.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -52.36 -49.26 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 121.844 2.111 . . . . 0.0 109.728 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tp -55.04 -55.87 26.09 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -50.96 29.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.49 1.116 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.96 -18.26 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 126.451 1.9 . . . . 0.0 111.602 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -85.11 -32.04 23.01 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.582 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.352 1.461 . . . . 0.0 108.923 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.13 -10.62 59.12 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.251 0.932 . . . . 0.0 112.25 178.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.14 62.82 5.07 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 124.205 0.907 . . . . 0.0 111.936 -169.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mm -83.41 -26.29 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.8 1.24 . . . . 0.0 110.945 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.17 60.84 1.45 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.4 1.48 . . . . 0.0 108.143 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.536 -1.221 . . . . 0.0 110.457 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -68.13 158.94 32.01 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.711 -0.618 . . . . 0.0 109.78 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 56' ' ' ILE . . . -119.82 -76.19 0.58 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.083 2.153 . . . . 0.0 107.626 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.62 -41.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.926 2.49 . . . . 0.0 112.491 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.44 -55.94 4.68 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 123.123 1.44 . . . . 0.0 108.098 171.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 15.1 mt -80.3 -14.12 58.64 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 120.619 -1.301 . . . . 0.0 114.126 -165.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.37 0.16 53.23 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.939 0.896 . . . . 0.0 110.919 165.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -74.68 -32.38 62.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.394 0.997 . . . . 0.0 111.9 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.586 ' HB2' HD23 ' A' ' 14' ' ' LEU . 78.6 m-85 -54.43 151.46 7.67 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 124.106 0.879 . . . . 0.0 110.146 -174.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -69.3 164.3 23.13 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.561 0.619 . . . . 0.0 110.567 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.488 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.4 m-20 -53.0 -34.36 55.95 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.964 1.256 . . . . 0.0 111.734 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.55 -40.03 36.05 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -64.4 -49.45 71.51 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.639 1.109 . . . . 0.0 109.822 175.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' ' 9' ' ' TYR . 20.1 mt -48.59 -66.84 0.33 Allowed 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 128.147 2.579 . . . . 0.0 107.304 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.19 -50.09 50.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.903 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -65.23 -16.96 64.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 112.952 -174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.64 -36.66 10.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.153 1.781 . . . . 0.0 109.666 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -87.17 -35.24 18.7 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.955 -1.091 . . . . 0.0 108.244 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -34.15 68.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.743 -1.122 . . . . 0.0 109.867 168.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 24.2 tp10 -63.27 -53.96 44.71 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.81 1.644 . . . . 0.0 110.736 175.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 1.2 mmmm -57.28 -57.21 13.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.22 -2.175 . . . . 0.0 107.42 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -47.75 -44.66 28.3 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 117.772 -1.109 . . . . 0.0 112.809 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 12.6 ptm180 -72.24 -46.23 56.92 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.881 1.219 . . . . 0.0 111.319 177.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -51.46 -47.87 62.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.482 1.513 . . . . 0.0 108.606 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 47' ' ' LYS . 2.0 tm? -57.55 -53.92 52.69 Favored 'General case' 0 C--N 1.333 -0.127 0 O-C-N 120.971 -1.081 . . . . 0.0 110.888 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.2 ttp -62.43 -26.93 68.76 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 124.632 1.173 . . . . 0.0 113.113 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -94.35 -30.5 14.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.717 0.77 . . . . 0.0 110.768 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.77 -43.53 75.56 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -61.09 -29.59 69.84 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.821 -1.174 . . . . 0.0 111.026 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.7 -37.95 79.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.656 1.183 . . . . 0.0 111.05 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.7 -42.72 63.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.68 -46.24 90.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.041 0.936 . . . . 0.0 110.154 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.66 -27.42 69.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.237 1.015 . . . . 0.0 112.399 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.9 mmt -85.55 -7.69 58.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.232 1.013 . . . . 0.0 111.829 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.15 33.71 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 125.292 1.425 . . . . 0.0 110.485 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -115.95 -35.5 4.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 38' ' ' LYS . 5.3 tt -65.53 132.19 48.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.753 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 37' ' ' LEU . 3.2 tmtp? -53.52 -48.96 68.54 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.514 1.526 . . . . 0.0 114.494 -172.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -149.96 145.32 26.39 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.027 1.285 . . . . 0.0 111.538 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 p -62.03 -31.15 71.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.626 1.571 . . . . 0.0 113.573 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -60.54 -28.34 68.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.48 -0.762 . . . . 0.0 111.229 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 37' ' ' LEU . 27.4 tp -62.69 -46.53 87.71 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 174.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -56.12 16.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 120.572 1.533 . . . . 0.0 108.104 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -43.46 46.05 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.707 1.594 . . . . 0.0 112.41 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.97 -46.57 67.78 Favored 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 128.556 2.742 . . . . 0.0 109.246 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -67.55 -48.4 67.06 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' CB ' HD23 ' A' ' 25' ' ' LEU 0.387 0.0 OUTLIER -63.81 -29.33 70.54 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.473 2.309 . . . . 0.0 114.713 179.892 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 11.7 ptt85 -57.29 -46.04 83.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 170.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.13 -40.81 64.6 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.126 1.77 . . . . 0.0 107.223 -173.515 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.73 -55.46 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.247 0 CA-C-N 121.191 1.814 . . . . 0.0 107.241 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.76 -0.24 17.57 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.454 -171.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -65.45 1.01 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.241 1.416 . . . . 0.0 111.379 160.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 HD22 ' A' ' 18' ' ' LEU . 1.6 mp -51.86 -60.46 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 128.262 2.625 . . . . 0.0 111.96 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -33.44 61.93 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.53 -0.731 . . . . 0.0 109.944 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 m -74.69 -28.34 60.78 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.434 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 3' ' ' ALA . 3.0 mm -54.2 -45.45 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 122.425 2.375 . . . . 0.0 110.419 172.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HB2' HD12 ' A' ' 18' ' ' LEU . 9.5 tp -58.84 -53.43 58.51 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.856 0.722 . . . . 0.0 109.059 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -52.62 16.94 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.378 1.071 . . . . 0.0 111.038 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.72 -22.45 65.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.943 1.697 . . . . 0.0 111.598 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -86.79 -19.74 28.6 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.338 -1.315 . . . . 0.0 112.864 172.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.18 -57.21 9.11 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -30.19 63.36 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.11 63.65 1.37 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -169.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.24 -29.44 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 129.419 3.088 . . . . 0.0 109.532 167.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.68 11.55 35.86 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -172.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.104 -1.427 . . . . 0.0 111.334 -141.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.3 mttt 63.37 -179.89 0.15 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.02 0.928 . . . . 0.0 113.487 149.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.99 -80.41 0.63 Allowed 'General case' 0 C--O 1.222 -0.386 0 O-C-N 121.219 -0.926 . . . . 0.0 112.721 164.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m 41.47 -15.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 129.665 3.186 . . . . 0.0 118.681 -144.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.723 ' HG3' HD22 ' A' ' 6' ' ' LEU . 15.6 pt-20 -101.08 -57.3 2.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 170.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 5' ' ' GLU . 0.8 OUTLIER -74.08 -15.15 61.07 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.167 -1.583 . . . . 0.0 113.737 -169.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -17.99 25.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 120.976 1.716 . . . . 0.0 111.11 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -80.85 -23.15 39.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.826 -166.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 94.1 m-85 -61.43 162.23 8.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 118.289 0.495 . . . . 0.0 111.626 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -74.21 162.73 28.64 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.397 -0.815 . . . . 0.0 110.117 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.59 -25.85 40.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.867 1.212 . . . . 0.0 112.98 -174.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.24 -47.61 10.62 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.307 0.643 . . . . 0.0 111.836 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.31 -40.86 83.15 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 11' ' ' ASP . 36.5 mt -51.41 -68.98 0.12 Allowed 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 127.575 2.35 . . . . 0.0 108.463 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.42 64.78 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 117.325 -1.322 . . . . 0.0 109.687 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -72.62 -2.32 19.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 119.855 1.207 . . . . 0.0 112.409 -174.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -54.75 3.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 164.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -80.41 -22.75 40.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.921 -0.487 . . . . 0.0 110.685 -159.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.69 -51.69 46.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 111.281 158.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -54.12 50.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.532 1.06 . . . . 0.0 111.038 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 29.5 mmmt -57.44 -57.42 12.76 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 45.5 pttt -52.54 -41.74 63.79 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.909 1.686 . . . . 0.0 111.675 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -66.1 -50.26 64.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 121.208 1.822 . . . . 0.0 110.592 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -48.03 -47.39 33.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.777 1.631 . . . . 0.0 111.028 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -54.2 -50.32 67.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.024 -1.048 . . . . 0.0 111.921 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtp -72.54 -20.46 61.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.714 1.206 . . . . 0.0 112.538 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.93 -38.75 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.636 1.974 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.99 -39.93 79.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 120.305 -1.497 . . . . 0.0 108.651 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -62.96 -22.95 67.17 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.908 -1.745 . . . . 0.0 112.279 172.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -73.21 -43.35 61.44 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.4 0.68 . . . . 0.0 109.679 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.39 -34.19 75.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 119.973 1.26 . . . . 0.0 109.244 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.88 -54.88 27.89 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 119.764 1.165 . . . . 0.0 110.796 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.75 -36.28 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 113.938 -1.483 . . . . 0.0 110.104 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 15.4 mmt -86.5 -11.17 52.45 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.159 0.984 . . . . 0.0 113.099 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.73 45.24 9.55 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 126.399 1.952 . . . . 0.0 110.547 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -127.17 -21.6 3.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.592 1.557 . . . . 0.0 109.911 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -75.47 113.55 13.0 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 113.385 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 80.26 1.79 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.311 1.044 . . . . 0.0 111.639 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 69.46 119.22 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.88 2.872 . . . . 0.0 115.573 171.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.0 m -65.95 -4.54 7.21 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.045 2.538 . . . . 0.0 115.821 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -35.96 69.72 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 121.346 1.885 . . . . 0.0 110.788 164.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.46 -38.83 88.22 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.199 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -55.3 16.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.726 1.148 . . . . 0.0 109.212 172.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -45.21 65.03 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 120.204 1.366 . . . . 0.0 110.863 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.01 -12.62 60.17 Favored 'General case' 0 N--CA 1.433 -1.279 0 O-C-N 121.635 -0.666 . . . . 0.0 109.925 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 50' ' ' ILE . 93.2 m -87.98 -51.34 5.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.418 1.487 . . . . 0.0 108.419 175.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.414 0.0 OUTLIER -54.45 -33.39 59.46 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 122.476 2.398 . . . . 0.0 115.033 174.037 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -52.23 -45.98 65.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.24 0.927 . . . . 0.0 109.895 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB3' ' HE3' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.63 -44.02 21.76 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 126.342 1.857 . . . . 0.0 107.284 -174.528 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -56.96 -49.97 77.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.8 -4.01 32.13 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 119.478 1.035 . . . . 0.0 112.869 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -64.95 1.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.097 1.359 . . . . 0.0 110.64 164.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 18' ' ' LEU . 4.2 mp -56.51 -57.45 9.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 126.098 1.759 . . . . 0.0 110.325 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -36.22 70.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.844 0.747 . . . . 0.0 109.89 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -63.91 -37.13 86.28 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 116.829 -1.558 . . . . 0.0 111.124 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -56.56 -44.7 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.754 2.07 . . . . 0.0 111.438 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -55.54 32.69 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -49.8 -53.53 24.7 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 125.674 1.59 . . . . 0.0 112.153 -178.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.75 -49.15 29.17 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.269 2.228 . . . . 0.0 109.029 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.36 -17.37 62.43 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.365 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.15 -52.5 27.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.176 1.353 . . . . 0.0 107.779 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -90.73 -9.42 46.75 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.628 1.104 . . . . 0.0 112.212 -175.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 44.51 43.33 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mt -83.33 144.66 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 103.622 -2.732 . . . . 0.0 103.622 154.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 145.02 121.31 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.747 1 C-N-CA 136.02 5.728 . . . . 0.0 103.69 174.457 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.247 0.939 0 O-C-N 124.129 0.893 . . . . 0.0 109.844 160.245 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 172.55 0.42 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.45 -0.781 . . . . 0.0 111.697 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.4 2.09 10.21 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.549 -1.691 . . . . 0.0 114.323 171.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.0 m -51.33 -27.08 8.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 122.136 2.243 . . . . 0.0 113.642 -166.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 7.6 pt-20 -62.16 -70.3 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.279 2.632 . . . . 0.0 112.475 161.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.64 -39.4 93.75 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 119.736 -1.852 . . . . 0.0 113.794 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -8.04 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.76 1.224 . . . . 0.0 111.658 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -16.65 53.96 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.42 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.54 ' HB2' HD23 ' A' ' 14' ' ' LEU 0.274 31.7 m-85 -64.94 153.32 40.82 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 119.473 1.033 . . . . 0.0 109.3 -177.6 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 p -72.18 162.12 29.91 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.665 -0.647 . . . . 0.0 109.295 174.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -54.38 -25.58 25.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.694 1.133 . . . . 0.0 112.133 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -48.85 11.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.038 1.735 . . . . 0.0 111.868 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.39 -40.65 97.81 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 118.977 0.808 . . . . 0.0 110.44 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 9' ' ' TYR . 31.3 mt -53.73 -64.52 0.8 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 126.599 1.96 . . . . 0.0 106.901 -176.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -44.58 72.54 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.305 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -72.31 -2.54 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.684 1.129 . . . . 0.0 112.96 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.5 -50.59 2.94 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 127.838 2.455 . . . . 0.0 108.161 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -73.67 -31.36 63.42 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.49 -0.756 . . . . 0.0 109.391 -178.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.35 -30.66 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.929 168.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.58 -56.04 8.44 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 124.441 1.096 . . . . 0.0 110.41 -176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HE2' HD13 ' A' ' 53' ' ' ILE . 28.2 mmmt -53.43 -59.98 3.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -45.62 -47.07 14.79 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 116.401 -1.761 . . . . 0.0 112.787 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -67.33 -54.47 20.34 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 116.414 -1.755 . . . . 0.0 108.634 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -44.54 -41.75 6.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 121.068 1.758 . . . . 0.0 111.548 -173.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 47' ' ' LYS . 39.2 tp -54.47 -55.48 28.52 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.564 -1.335 . . . . 0.0 112.18 172.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.6 mmm -68.31 -21.37 64.77 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.52 -42.38 9.74 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 124.588 1.155 . . . . 0.0 108.362 -172.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 HG21 ' A' ' 46' ' ' THR . 74.3 mt -67.86 -40.56 83.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.326 -1.484 . . . . 0.0 108.544 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -58.79 -27.75 65.31 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 120.325 -1.485 . . . . 0.0 111.529 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -79.4 -27.62 41.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.495 1.118 . . . . 0.0 110.935 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.43 -32.83 70.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 121.751 2.069 . . . . 0.0 106.995 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HD22 ' A' ' 37' ' ' LEU . 15.8 tp -70.44 -43.88 69.0 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 118.537 0.608 . . . . 0.0 110.802 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.53 -40.21 68.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.435 0.694 . . . . 0.0 110.732 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -50.39 20.6 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 123.798 0.839 . . . . 0.0 109.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 40.29 0.58 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.168 1.365 . . . . 0.0 111.482 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 -25.04 2.73 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.724 1.21 . . . . 0.0 110.706 -168.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD22 HD13 ' A' ' 32' ' ' LEU . 6.9 tt -52.41 148.15 7.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.563 1.145 . . . . 0.0 112.715 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -118.03 126.12 51.67 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.116 1.367 . . . . 0.0 107.745 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m120 47.0 98.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 130.082 3.353 . . . . 0.0 113.174 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.5 p -56.77 -21.06 25.68 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.819 -1.176 . . . . 0.0 112.215 172.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 m -53.86 -30.34 45.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.664 1.186 . . . . 0.0 111.883 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -43.01 39.46 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.912 1.285 . . . . 0.0 110.796 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 -43.26 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.876 1.216 . . . . 0.0 110.499 171.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -55.67 13.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 127.174 2.19 . . . . 0.0 112.274 175.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.57 -37.91 79.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 126.094 1.757 . . . . 0.0 109.043 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.577 HG22 HD13 ' A' ' 50' ' ' ILE . 87.1 m -67.44 -46.54 72.81 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 -173.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HD2' ' CD1' ' A' ' 25' ' ' LEU 0.304 0.0 OUTLIER -60.42 -33.52 72.64 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 118.883 -2.386 . . . . 0.0 115.187 175.591 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -62.45 -47.1 85.53 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.7 -35.27 52.28 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.121 0.888 . . . . 0.0 110.054 -170.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.577 HD13 HG22 ' A' ' 46' ' ' THR . 1.3 mp -55.58 -50.82 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 169.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.98 -4.74 37.08 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.101 -1.039 . . . . 0.0 112.72 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -65.16 1.05 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.871 2.068 . . . . 0.0 108.745 167.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 21' ' ' LYS . 4.0 mp -58.05 -54.31 33.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 O-C-N 121.186 -0.946 . . . . 0.0 111.911 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.668 1.576 . . . . 0.0 110.28 -176.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 m -62.14 -39.41 92.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.487 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.74 -39.9 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.251 1.841 . . . . 0.0 109.954 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.99 -49.65 76.1 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.06 -42.27 98.17 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.027 0.931 . . . . 0.0 110.241 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.68 -26.54 56.81 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.548 1.539 . . . . 0.0 112.621 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mtp-105 -94.9 -16.78 22.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.627 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -68.91 -63.83 0.99 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.78 -16.46 58.36 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.531 1.514 . . . . 0.0 113.062 -172.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.51 68.84 1.48 Allowed Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -168.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.0 mm -96.15 -24.8 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.492 1.117 . . . . 0.0 110.163 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -138.2 14.34 2.82 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 125.471 1.508 . . . . 0.0 111.494 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 163.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.199 -0.296 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? 57.76 172.23 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.329 1.451 . . . . 0.0 111.528 -160.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.04 1.07 51.72 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 125.433 1.493 . . . . 0.0 111.343 173.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -40.14 -31.68 0.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 120.311 1.414 . . . . 0.0 112.985 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.99 -28.16 39.52 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -101.89 -43.1 5.91 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 125.053 1.341 . . . . 0.0 110.598 -171.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -11.31 43.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 118.827 0.739 . . . . 0.0 110.61 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -9.67 58.76 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 116.438 -1.744 . . . . 0.0 113.178 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.681 ' HB2' HD13 ' A' ' 14' ' ' LEU . 80.0 m-85 -84.98 168.98 14.46 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.469 ' H ' ' HB2' ' A' ' 13' ' ' GLU . 49.9 p -95.7 155.91 16.55 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-O 116.021 -1.943 . . . . 0.0 107.084 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -33.64 -44.39 0.15 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 129.353 3.061 . . . . 0.0 112.06 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.77 -47.96 23.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.761 -1.108 . . . . 0.0 113.729 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' H ' ' A' ' 10' ' ' THR . 13.3 mt-10 -64.7 -31.8 73.18 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.08 172.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -57.62 -65.55 0.61 Allowed 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 102.888 -3.004 . . . . 0.0 102.888 179.435 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -41.85 76.03 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 120.536 1.517 . . . . 0.0 110.599 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.8 -7.62 35.79 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.56 -43.78 5.07 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 127.512 2.325 . . . . 0.0 107.602 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD22 HG23 ' A' ' 53' ' ' ILE . 1.7 mt -83.7 -25.74 30.37 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 120.881 -1.137 . . . . 0.0 109.961 -168.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -41.57 95.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.638 162.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -69.63 -45.82 67.63 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.261 1.024 . . . . 0.0 110.548 -173.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.79 -58.17 9.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -45.92 49.23 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.164 1.802 . . . . 0.0 112.113 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -66.83 -44.91 79.85 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 116.816 -1.564 . . . . 0.0 111.729 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -48.8 -49.89 36.82 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 119.97 1.259 . . . . 0.0 108.69 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.66 -53.46 30.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.632 0.651 . . . . 0.0 111.251 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttt -57.73 -32.21 67.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.818 1.647 . . . . 0.0 114.4 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.57 -40.66 10.66 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.204 1.001 . . . . 0.0 110.723 -172.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 46' ' ' THR . 94.8 mt -59.49 -46.97 87.28 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.343 1.057 . . . . 0.0 109.504 170.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.14 -22.62 64.86 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.634 -1.291 . . . . 0.0 112.313 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.76 -31.7 52.19 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.674 1.19 . . . . 0.0 110.202 173.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -74.96 -33.75 61.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 121.413 1.915 . . . . 0.0 107.059 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.71 -54.72 43.75 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 124.182 0.993 . . . . 0.0 111.058 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.62 -36.24 69.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.916 0.886 . . . . 0.0 110.498 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.5 mmt -75.26 -12.33 60.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.367 1.067 . . . . 0.0 112.496 175.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.3 13.5 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 127.854 2.645 . . . . 0.0 111.431 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.73 -23.53 8.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.678 1.239 . . . . 0.0 111.57 -165.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 43' ' ' ILE . 3.2 tt -82.62 115.58 21.64 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.837 1.255 . . . . 0.0 111.741 172.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -24.78 -77.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -172.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -160.3 44.1 0.2 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.132 0.573 . . . . 0.0 110.437 -167.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.6 p 53.09 -8.82 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 128.482 2.713 . . . . 0.0 117.62 -175.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -57.02 -42.3 80.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 120.742 1.61 . . . . 0.0 110.385 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -40.82 95.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.96 0.904 . . . . 0.0 109.348 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -57.75 -43.7 84.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 119.27 0.941 . . . . 0.0 110.749 173.238 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -44.05 86.81 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 120.499 1.499 . . . . 0.0 109.295 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.55 -17.47 62.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.83 1.652 . . . . 0.0 112.917 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.489 HG21 HD12 ' A' ' 28' ' ' LEU . 3.5 m -83.47 -54.79 4.7 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 170.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -49.46 -42.9 44.42 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.188 2.195 . . . . 0.0 112.911 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.92 70.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 119.304 0.956 . . . . 0.0 111.268 176.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -38.15 48.13 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.91 -41.52 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 120.901 1.682 . . . . 0.0 108.915 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.2 80.25 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.605 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -59.98 4.35 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.043 1.292 . . . . 0.0 111.919 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.736 HG23 HD22 ' A' ' 18' ' ' LEU . 3.1 mp -55.53 -54.43 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 124.933 1.293 . . . . 0.0 111.269 177.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -35.0 78.24 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.975 -1.703 . . . . 0.0 109.257 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -56.52 -44.68 81.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 116.622 -1.656 . . . . 0.0 110.047 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mm -50.59 -55.59 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 116.518 -1.706 . . . . 0.0 107.547 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 18' ' ' LEU . 5.2 tt -55.31 -49.06 73.13 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 119.645 1.111 . . . . 0.0 108.997 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -47.26 74.27 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.316 0.962 . . . . 0.0 111.489 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.57 -38.99 64.43 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.084 0.954 . . . . 0.0 110.93 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -70.67 -26.57 63.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.224 1.01 . . . . 0.0 112.031 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.94 -52.47 49.48 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -20.8 46.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.37 0.986 . . . . 0.0 112.471 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.79 18.36 54.65 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.038 -0.868 . . . . 0.0 113.52 -173.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -55.0 -36.89 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.784 1.634 . . . . 0.0 111.433 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -97.45 21.33 10.32 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.635 1.174 . . . . 0.0 111.39 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 . . . . . 0 C--O 1.255 1.358 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -158.306 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.413 0.149 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.35 137.25 54.78 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.072 0.858 . . . . 0.0 109.215 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.489 ' CB ' HD11 ' A' ' 56' ' ' ILE . . . -80.46 1.55 28.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.168 0.918 . . . . 0.0 109.215 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 9.7 p -40.43 -27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.062 0.851 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' ALA . 7.7 pt-20 -89.38 -41.3 12.2 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HG13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -72.12 -49.64 34.4 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.655 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -76.1 -0.08 20.64 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.485 177.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 4' ' ' SER . 1.4 t30 -75.52 -4.75 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 109.582 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' A' ' 17' ' ' LEU . 70.3 m-85 -104.27 167.4 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 111.58 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 p -85.23 148.8 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER -38.17 -50.52 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.838 0.711 . . . . 0.0 109.382 -179.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -59.45 -44.31 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.255 0.972 . . . . 0.0 110.651 179.357 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.33 -43.36 77.69 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.106 0.879 . . . . 0.0 110.457 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.538 ' CD1' ' CG ' ' A' ' 14' ' ' LEU . 1.7 mm? -42.74 -67.25 0.29 Allowed 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.044 0.84 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -53.57 -41.93 67.04 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.999 0.812 . . . . 0.0 109.168 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 2.2 t30 -68.4 -5.58 19.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.162 0.914 . . . . 0.0 109.36 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -108.84 -36.92 6.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 HG23 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -83.37 -42.4 17.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.06 0.85 . . . . 0.0 108.952 -179.1 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.71 -28.95 36.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.196 0.935 . . . . 0.0 110.193 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 10.8 tt0 -80.11 -32.2 39.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.248 0.968 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.852 ' HE2' HD13 ' A' ' 53' ' ' ILE . 26.8 mmmt -76.15 -56.13 4.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -57.68 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.296 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -59.41 -45.03 92.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.35 1.031 . . . . 0.0 110.118 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.463 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -44.51 -58.51 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.052 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -47.93 -50.96 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.942 0.776 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 tpt -64.96 -24.91 67.66 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.589 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -84.56 -33.86 23.36 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.987 0.804 . . . . 0.0 109.852 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.735 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -71.24 -50.11 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -58.17 -28.58 64.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.22 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.1 -29.36 66.3 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -72.88 -51.01 20.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.19 0.931 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.755 ' CD2' HG22 ' A' ' 40' ' ' THR . 13.9 tp -55.33 -51.98 64.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.06 0.85 . . . . 0.0 109.646 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.81 -31.89 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.789 1.306 . . . . 0.0 109.526 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.108 0.88 . . . . 0.0 111.191 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.91 45.05 1.14 Allowed Glycine 0 C--O 1.223 -0.575 0 O-C-N 124.229 0.955 . . . . 0.0 111.2 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -121.97 -38.29 2.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.064 0.508 . . . . 0.0 110.13 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 28' ' ' LEU . 1.4 tt -46.72 166.51 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.097 0.873 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.682 ' N ' HD23 ' A' ' 37' ' ' LEU . 4.3 tttm -123.64 79.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.053 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.03 121.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.272 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.755 HG22 ' CD2' ' A' ' 32' ' ' LEU . 44.8 p -54.79 -28.16 47.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.222 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -39.86 -35.94 0.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.348 1.03 . . . . 0.0 110.263 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 42' ' ' LEU . 7.6 tt -64.68 -53.32 49.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.718 1.261 . . . . 0.0 109.299 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -50.0 -61.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.02 0.825 . . . . 0.0 109.199 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.7 -38.84 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.078 0.861 . . . . 0.0 109.182 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 45' ' ' LEU . 12.2 mt -72.35 -39.97 67.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.166 0.916 . . . . 0.0 109.583 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.752 HG22 HD13 ' A' ' 50' ' ' ILE . 1.5 m -70.2 -36.84 74.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 123.784 0.678 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' ILE . 42.6 tptt -63.43 -55.22 26.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.02 0.825 . . . . 0.0 108.971 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 49' ' ' ASP . 4.3 ptm180 -44.56 -33.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.841 ' O ' HD12 ' A' ' 53' ' ' ILE . 2.1 m-20 -87.99 -34.31 18.09 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.612 1.195 . . . . 0.0 108.852 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 46' ' ' THR . 0.3 OUTLIER -66.21 -48.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.4 70.71 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -80.68 -50.78 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.514 179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.009 HG23 HD22 ' A' ' 18' ' ' LEU . 1.4 mp -67.18 -51.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.83 -17.27 22.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 123.849 0.718 . . . . 0.0 109.359 179.41 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -82.74 -42.33 18.14 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.291 0.994 . . . . 0.0 110.446 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.773 HG13 HD23 ' A' ' 6' ' ' LEU . 2.2 mm -47.14 -49.14 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.35 1.031 . . . . 0.0 109.426 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.936 ' HB2' HD12 ' A' ' 18' ' ' LEU . 3.6 tp -56.33 -52.37 64.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.357 1.035 . . . . 0.0 109.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.6 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -54.35 -36.55 63.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.82 0.7 . . . . 0.0 110.334 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.11 -36.93 83.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.295 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -95.5 0.35 53.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.561 ' C ' HD13 ' A' ' 62' ' ' LEU . 4.9 mt-10 -74.72 -50.56 17.04 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.221 0.951 . . . . 0.0 109.51 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.891 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -89.64 -60.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 108.732 -178.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.32 42.82 0.02 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.9 mm -88.04 -14.54 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -138.28 34.66 2.3 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.941 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 . . . . . 0 N--CA 1.444 -0.752 0 O-C-N 124.593 1.183 . . . . 0.0 110.437 179.69 . . . . . . . . 0 0 . 1 stop_ save_